Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:24:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YFeSi.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 23 6 1418 849 134 Max 33 24 7 1423 860 143 Sum 1177 829 241 51121 30755 5015 bravais-lattice index = 14 lattice parameter (alat) = 7.5400 a.u. unit-cell volume = 730.5521 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.540007 celldm(2)= 1.000000 celldm(3)= 1.704261 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.704261 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.586765 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Si 4.00 28.08550 Si( 1.00) Y 11.00 88.90590 Y( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028329 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028329 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028329 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028329 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028329 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028329 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028329 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028329 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028329 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028329 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028329 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028329 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0028329 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028329 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028329 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028329 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028329 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028329 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028329 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028329 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028329 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028329 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028329 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028329 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028329 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0028329 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028329 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028329 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028329 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028329 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028329 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028329 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028329 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028329 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028329 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028329 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0028329 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028329 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028329 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028329 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0028329 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028329 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028329 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028329 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028329 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0028329 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028329 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028329 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028329 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028329 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028329 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028329 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0028329 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028329 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028329 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0028329 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028329 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0028329 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028329 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0028329 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028329 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028329 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028329 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028329 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028329 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028329 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028329 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028329 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028329 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028329 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028329 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0028329 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0028329 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028329 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028329 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028329 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028329 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028329 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028329 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028329 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028329 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028329 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0028329 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028329 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0028329 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0028329 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028329 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028329 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028329 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028329 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0028329 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028329 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0028329 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028329 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0028329 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028329 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0028329 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0028329 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0028329 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028329 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028329 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028329 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028329 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028329 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0028329 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028329 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0028329 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028329 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028329 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028329 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0028329 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028329 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0028329 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028329 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028329 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028329 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0028329 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028329 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028329 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028329 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0028329 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028329 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0028329 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028329 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028329 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028329 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0028329 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028329 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028329 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028329 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0028329 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028329 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028329 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028329 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028329 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0122243), wk = 0.0028329 k( 142) = ( 0.0000000 0.0000000 0.0244485), wk = 0.0028329 k( 143) = ( 0.0000000 0.0000000 0.0366728), wk = 0.0028329 k( 144) = ( 0.0000000 0.0000000 0.0488971), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.0611213), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.0733456), wk = 0.0028329 k( 147) = ( 0.0000000 0.0000000 0.0855699), wk = 0.0028329 k( 148) = ( 0.0000000 0.0000000 0.0977941), wk = 0.0028329 k( 149) = ( 0.0000000 0.0000000 0.1100184), wk = 0.0028329 k( 150) = ( 0.0000000 0.0000000 0.1222426), wk = 0.0028329 k( 151) = ( 0.0000000 0.0000000 0.1344669), wk = 0.0028329 k( 152) = ( 0.0000000 0.0000000 0.1466912), wk = 0.0028329 k( 153) = ( 0.0000000 0.0000000 0.1589154), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.1711397), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.1833640), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.1955882), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.2078125), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.2200368), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.2322610), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.2444853), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.2567096), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.2689338), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.2811581), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.2933824), wk = 0.0028329 k( 165) = ( 0.0000000 0.0000000 0.2933824), wk = 0.0028329 k( 166) = ( 0.0000000 0.0125000 0.2933824), wk = 0.0028329 k( 167) = ( 0.0000000 0.0250000 0.2933824), wk = 0.0028329 k( 168) = ( 0.0000000 0.0375000 0.2933824), wk = 0.0028329 k( 169) = ( 0.0000000 0.0500000 0.2933824), wk = 0.0028329 k( 170) = ( 0.0000000 0.0625000 0.2933824), wk = 0.0028329 k( 171) = ( 0.0000000 0.0750000 0.2933824), wk = 0.0028329 k( 172) = ( 0.0000000 0.0875000 0.2933824), wk = 0.0028329 k( 173) = ( 0.0000000 0.1000000 0.2933824), wk = 0.0028329 k( 174) = ( 0.0000000 0.1125000 0.2933824), wk = 0.0028329 k( 175) = ( 0.0000000 0.1250000 0.2933824), wk = 0.0028329 k( 176) = ( 0.0000000 0.1375000 0.2933824), wk = 0.0028329 k( 177) = ( 0.0000000 0.1500000 0.2933824), wk = 0.0028329 k( 178) = ( 0.0000000 0.1625000 0.2933824), wk = 0.0028329 k( 179) = ( 0.0000000 0.1750000 0.2933824), wk = 0.0028329 k( 180) = ( 0.0000000 0.1875000 0.2933824), wk = 0.0028329 k( 181) = ( 0.0000000 0.2000000 0.2933824), wk = 0.0028329 k( 182) = ( 0.0000000 0.2125000 0.2933824), wk = 0.0028329 k( 183) = ( 0.0000000 0.2250000 0.2933824), wk = 0.0028329 k( 184) = ( 0.0000000 0.2375000 0.2933824), wk = 0.0028329 k( 185) = ( 0.0000000 0.2500000 0.2933824), wk = 0.0028329 k( 186) = ( 0.0000000 0.2625000 0.2933824), wk = 0.0028329 k( 187) = ( 0.0000000 0.2750000 0.2933824), wk = 0.0028329 k( 188) = ( 0.0000000 0.2875000 0.2933824), wk = 0.0028329 k( 189) = ( 0.0000000 0.3000000 0.2933824), wk = 0.0028329 k( 190) = ( 0.0000000 0.3125000 0.2933824), wk = 0.0028329 k( 191) = ( 0.0000000 0.3250000 0.2933824), wk = 0.0028329 k( 192) = ( 0.0000000 0.3375000 0.2933824), wk = 0.0028329 k( 193) = ( 0.0000000 0.3500000 0.2933824), wk = 0.0028329 k( 194) = ( 0.0000000 0.3625000 0.2933824), wk = 0.0028329 k( 195) = ( 0.0000000 0.3750000 0.2933824), wk = 0.0028329 k( 196) = ( 0.0000000 0.3875000 0.2933824), wk = 0.0028329 k( 197) = ( 0.0000000 0.4000000 0.2933824), wk = 0.0028329 k( 198) = ( 0.0000000 0.4125000 0.2933824), wk = 0.0028329 k( 199) = ( 0.0000000 0.4250000 0.2933824), wk = 0.0028329 k( 200) = ( 0.0000000 0.4375000 0.2933824), wk = 0.0028329 k( 201) = ( 0.0000000 0.4500000 0.2933824), wk = 0.0028329 k( 202) = ( 0.0000000 0.4625000 0.2933824), wk = 0.0028329 k( 203) = ( 0.0000000 0.4750000 0.2933824), wk = 0.0028329 k( 204) = ( 0.0000000 0.4875000 0.2933824), wk = 0.0028329 k( 205) = ( 0.0000000 0.5000000 0.2933824), wk = 0.0028329 k( 206) = ( 0.0000000 0.5000000 0.2933824), wk = 0.0028329 k( 207) = ( 0.0125000 0.5000000 0.2933824), wk = 0.0028329 k( 208) = ( 0.0250000 0.5000000 0.2933824), wk = 0.0028329 k( 209) = ( 0.0375000 0.5000000 0.2933824), wk = 0.0028329 k( 210) = ( 0.0500000 0.5000000 0.2933824), wk = 0.0028329 k( 211) = ( 0.0625000 0.5000000 0.2933824), wk = 0.0028329 k( 212) = ( 0.0750000 0.5000000 0.2933824), wk = 0.0028329 k( 213) = ( 0.0875000 0.5000000 0.2933824), wk = 0.0028329 k( 214) = ( 0.1000000 0.5000000 0.2933824), wk = 0.0028329 k( 215) = ( 0.1125000 0.5000000 0.2933824), wk = 0.0028329 k( 216) = ( 0.1250000 0.5000000 0.2933824), wk = 0.0028329 k( 217) = ( 0.1375000 0.5000000 0.2933824), wk = 0.0028329 k( 218) = ( 0.1500000 0.5000000 0.2933824), wk = 0.0028329 k( 219) = ( 0.1625000 0.5000000 0.2933824), wk = 0.0028329 k( 220) = ( 0.1750000 0.5000000 0.2933824), wk = 0.0028329 k( 221) = ( 0.1875000 0.5000000 0.2933824), wk = 0.0028329 k( 222) = ( 0.2000000 0.5000000 0.2933824), wk = 0.0028329 k( 223) = ( 0.2125000 0.5000000 0.2933824), wk = 0.0028329 k( 224) = ( 0.2250000 0.5000000 0.2933824), wk = 0.0028329 k( 225) = ( 0.2375000 0.5000000 0.2933824), wk = 0.0028329 k( 226) = ( 0.2500000 0.5000000 0.2933824), wk = 0.0028329 k( 227) = ( 0.2625000 0.5000000 0.2933824), wk = 0.0028329 k( 228) = ( 0.2750000 0.5000000 0.2933824), wk = 0.0028329 k( 229) = ( 0.2875000 0.5000000 0.2933824), wk = 0.0028329 k( 230) = ( 0.3000000 0.5000000 0.2933824), wk = 0.0028329 k( 231) = ( 0.3125000 0.5000000 0.2933824), wk = 0.0028329 k( 232) = ( 0.3250000 0.5000000 0.2933824), wk = 0.0028329 k( 233) = ( 0.3375000 0.5000000 0.2933824), wk = 0.0028329 k( 234) = ( 0.3500000 0.5000000 0.2933824), wk = 0.0028329 k( 235) = ( 0.3625000 0.5000000 0.2933824), wk = 0.0028329 k( 236) = ( 0.3750000 0.5000000 0.2933824), wk = 0.0028329 k( 237) = ( 0.3875000 0.5000000 0.2933824), wk = 0.0028329 k( 238) = ( 0.4000000 0.5000000 0.2933824), wk = 0.0028329 k( 239) = ( 0.4125000 0.5000000 0.2933824), wk = 0.0028329 k( 240) = ( 0.4250000 0.5000000 0.2933824), wk = 0.0028329 k( 241) = ( 0.4375000 0.5000000 0.2933824), wk = 0.0028329 k( 242) = ( 0.4500000 0.5000000 0.2933824), wk = 0.0028329 k( 243) = ( 0.4625000 0.5000000 0.2933824), wk = 0.0028329 k( 244) = ( 0.4750000 0.5000000 0.2933824), wk = 0.0028329 k( 245) = ( 0.4875000 0.5000000 0.2933824), wk = 0.0028329 k( 246) = ( 0.5000000 0.5000000 0.2933824), wk = 0.0028329 k( 247) = ( 0.5000000 0.5000000 0.2933824), wk = 0.0028329 k( 248) = ( 0.4910714 0.4910714 0.2933824), wk = 0.0028329 k( 249) = ( 0.4821429 0.4821429 0.2933824), wk = 0.0028329 k( 250) = ( 0.4732143 0.4732143 0.2933824), wk = 0.0028329 k( 251) = ( 0.4642857 0.4642857 0.2933824), wk = 0.0028329 k( 252) = ( 0.4553571 0.4553571 0.2933824), wk = 0.0028329 k( 253) = ( 0.4464286 0.4464286 0.2933824), wk = 0.0028329 k( 254) = ( 0.4375000 0.4375000 0.2933824), wk = 0.0028329 k( 255) = ( 0.4285714 0.4285714 0.2933824), wk = 0.0028329 k( 256) = ( 0.4196429 0.4196429 0.2933824), wk = 0.0028329 k( 257) = ( 0.4107143 0.4107143 0.2933824), wk = 0.0028329 k( 258) = ( 0.4017857 0.4017857 0.2933824), wk = 0.0028329 k( 259) = ( 0.3928571 0.3928571 0.2933824), wk = 0.0028329 k( 260) = ( 0.3839286 0.3839286 0.2933824), wk = 0.0028329 k( 261) = ( 0.3750000 0.3750000 0.2933824), wk = 0.0028329 k( 262) = ( 0.3660714 0.3660714 0.2933824), wk = 0.0028329 k( 263) = ( 0.3571429 0.3571429 0.2933824), wk = 0.0028329 k( 264) = ( 0.3482143 0.3482143 0.2933824), wk = 0.0028329 k( 265) = ( 0.3392857 0.3392857 0.2933824), wk = 0.0028329 k( 266) = ( 0.3303571 0.3303571 0.2933824), wk = 0.0028329 k( 267) = ( 0.3214286 0.3214286 0.2933824), wk = 0.0028329 k( 268) = ( 0.3125000 0.3125000 0.2933824), wk = 0.0028329 k( 269) = ( 0.3035714 0.3035714 0.2933824), wk = 0.0028329 k( 270) = ( 0.2946429 0.2946429 0.2933824), wk = 0.0028329 k( 271) = ( 0.2857143 0.2857143 0.2933824), wk = 0.0028329 k( 272) = ( 0.2767857 0.2767857 0.2933824), wk = 0.0028329 k( 273) = ( 0.2678571 0.2678571 0.2933824), wk = 0.0028329 k( 274) = ( 0.2589286 0.2589286 0.2933824), wk = 0.0028329 k( 275) = ( 0.2500000 0.2500000 0.2933824), wk = 0.0028329 k( 276) = ( 0.2410714 0.2410714 0.2933824), wk = 0.0028329 k( 277) = ( 0.2321429 0.2321429 0.2933824), wk = 0.0028329 k( 278) = ( 0.2232143 0.2232143 0.2933824), wk = 0.0028329 k( 279) = ( 0.2142857 0.2142857 0.2933824), wk = 0.0028329 k( 280) = ( 0.2053571 0.2053571 0.2933824), wk = 0.0028329 k( 281) = ( 0.1964286 0.1964286 0.2933824), wk = 0.0028329 k( 282) = ( 0.1875000 0.1875000 0.2933824), wk = 0.0028329 k( 283) = ( 0.1785714 0.1785714 0.2933824), wk = 0.0028329 k( 284) = ( 0.1696429 0.1696429 0.2933824), wk = 0.0028329 k( 285) = ( 0.1607143 0.1607143 0.2933824), wk = 0.0028329 k( 286) = ( 0.1517857 0.1517857 0.2933824), wk = 0.0028329 k( 287) = ( 0.1428571 0.1428571 0.2933824), wk = 0.0028329 k( 288) = ( 0.1339286 0.1339286 0.2933824), wk = 0.0028329 k( 289) = ( 0.1250000 0.1250000 0.2933824), wk = 0.0028329 k( 290) = ( 0.1160714 0.1160714 0.2933824), wk = 0.0028329 k( 291) = ( 0.1071429 0.1071429 0.2933824), wk = 0.0028329 k( 292) = ( 0.0982143 0.0982143 0.2933824), wk = 0.0028329 k( 293) = ( 0.0892857 0.0892857 0.2933824), wk = 0.0028329 k( 294) = ( 0.0803571 0.0803571 0.2933824), wk = 0.0028329 k( 295) = ( 0.0714286 0.0714286 0.2933824), wk = 0.0028329 k( 296) = ( 0.0625000 0.0625000 0.2933824), wk = 0.0028329 k( 297) = ( 0.0535714 0.0535714 0.2933824), wk = 0.0028329 k( 298) = ( 0.0446429 0.0446429 0.2933824), wk = 0.0028329 k( 299) = ( 0.0357143 0.0357143 0.2933824), wk = 0.0028329 k( 300) = ( 0.0267857 0.0267857 0.2933824), wk = 0.0028329 k( 301) = ( 0.0178571 0.0178571 0.2933824), wk = 0.0028329 k( 302) = ( 0.0089286 0.0089286 0.2933824), wk = 0.0028329 k( 303) = ( 0.0000000 0.0000000 0.2933824), wk = 0.0028329 k( 304) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 305) = ( 0.0000000 0.5000000 0.0122243), wk = 0.0028329 k( 306) = ( 0.0000000 0.5000000 0.0244485), wk = 0.0028329 k( 307) = ( 0.0000000 0.5000000 0.0366728), wk = 0.0028329 k( 308) = ( 0.0000000 0.5000000 0.0488971), wk = 0.0028329 k( 309) = ( 0.0000000 0.5000000 0.0611213), wk = 0.0028329 k( 310) = ( 0.0000000 0.5000000 0.0733456), wk = 0.0028329 k( 311) = ( 0.0000000 0.5000000 0.0855699), wk = 0.0028329 k( 312) = ( 0.0000000 0.5000000 0.0977941), wk = 0.0028329 k( 313) = ( 0.0000000 0.5000000 0.1100184), wk = 0.0028329 k( 314) = ( 0.0000000 0.5000000 0.1222426), wk = 0.0028329 k( 315) = ( 0.0000000 0.5000000 0.1344669), wk = 0.0028329 k( 316) = ( 0.0000000 0.5000000 0.1466912), wk = 0.0028329 k( 317) = ( 0.0000000 0.5000000 0.1589154), wk = 0.0028329 k( 318) = ( 0.0000000 0.5000000 0.1711397), wk = 0.0028329 k( 319) = ( 0.0000000 0.5000000 0.1833640), wk = 0.0028329 k( 320) = ( 0.0000000 0.5000000 0.1955882), wk = 0.0028329 k( 321) = ( 0.0000000 0.5000000 0.2078125), wk = 0.0028329 k( 322) = ( 0.0000000 0.5000000 0.2200368), wk = 0.0028329 k( 323) = ( 0.0000000 0.5000000 0.2322610), wk = 0.0028329 k( 324) = ( 0.0000000 0.5000000 0.2444853), wk = 0.0028329 k( 325) = ( 0.0000000 0.5000000 0.2567096), wk = 0.0028329 k( 326) = ( 0.0000000 0.5000000 0.2689338), wk = 0.0028329 k( 327) = ( 0.0000000 0.5000000 0.2811581), wk = 0.0028329 k( 328) = ( 0.0000000 0.5000000 0.2933824), wk = 0.0028329 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028329 k( 330) = ( 0.5000000 0.5000000 0.0122243), wk = 0.0028329 k( 331) = ( 0.5000000 0.5000000 0.0244485), wk = 0.0028329 k( 332) = ( 0.5000000 0.5000000 0.0366728), wk = 0.0028329 k( 333) = ( 0.5000000 0.5000000 0.0488971), wk = 0.0028329 k( 334) = ( 0.5000000 0.5000000 0.0611213), wk = 0.0028329 k( 335) = ( 0.5000000 0.5000000 0.0733456), wk = 0.0028329 k( 336) = ( 0.5000000 0.5000000 0.0855699), wk = 0.0028329 k( 337) = ( 0.5000000 0.5000000 0.0977941), wk = 0.0028329 k( 338) = ( 0.5000000 0.5000000 0.1100184), wk = 0.0028329 k( 339) = ( 0.5000000 0.5000000 0.1222426), wk = 0.0028329 k( 340) = ( 0.5000000 0.5000000 0.1344669), wk = 0.0028329 k( 341) = ( 0.5000000 0.5000000 0.1466912), wk = 0.0028329 k( 342) = ( 0.5000000 0.5000000 0.1589154), wk = 0.0028329 k( 343) = ( 0.5000000 0.5000000 0.1711397), wk = 0.0028329 k( 344) = ( 0.5000000 0.5000000 0.1833640), wk = 0.0028329 k( 345) = ( 0.5000000 0.5000000 0.1955882), wk = 0.0028329 k( 346) = ( 0.5000000 0.5000000 0.2078125), wk = 0.0028329 k( 347) = ( 0.5000000 0.5000000 0.2200368), wk = 0.0028329 k( 348) = ( 0.5000000 0.5000000 0.2322610), wk = 0.0028329 k( 349) = ( 0.5000000 0.5000000 0.2444853), wk = 0.0028329 k( 350) = ( 0.5000000 0.5000000 0.2567096), wk = 0.0028329 k( 351) = ( 0.5000000 0.5000000 0.2689338), wk = 0.0028329 k( 352) = ( 0.5000000 0.5000000 0.2811581), wk = 0.0028329 k( 353) = ( 0.5000000 0.5000000 0.2933824), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028329 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028329 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028329 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028329 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0028329 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028329 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028329 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028329 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0028329 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0028329 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028329 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028329 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0028329 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028329 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028329 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028329 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028329 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0028329 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0028329 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028329 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028329 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028329 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028329 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028329 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028329 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0028329 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028329 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028329 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028329 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028329 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028329 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028329 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028329 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028329 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0028329 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0028329 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0028329 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0028329 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0028329 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028329 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028329 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028329 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0028329 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028329 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028329 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028329 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0028329 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0028329 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028329 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0028329 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0028329 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0028329 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0028329 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0028329 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0028329 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0028329 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028329 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0028329 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0028329 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0028329 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028329 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0028329 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028329 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028329 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028329 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028329 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028329 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028329 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0028329 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028329 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0028329 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028329 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028329 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0028329 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0028329 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028329 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0028329 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028329 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0028329 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0028329 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028329 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028329 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028329 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028329 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0028329 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028329 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0028329 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0028329 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0028329 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0028329 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028329 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028329 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0028329 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028329 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0028329 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028329 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0028329 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028329 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0028329 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0028329 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0028329 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028329 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028329 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028329 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028329 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0028329 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0028329 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028329 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0028329 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028329 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028329 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028329 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0028329 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028329 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0028329 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028329 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028329 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028329 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0028329 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0028329 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028329 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028329 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0028329 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028329 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0028329 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028329 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028329 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0028329 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0028329 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028329 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028329 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0028329 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0028329 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028329 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028329 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028329 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028329 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0028329 k( 142) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0028329 k( 143) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028329 k( 144) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028329 k( 147) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0028329 k( 148) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028329 k( 149) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028329 k( 150) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0028329 k( 151) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0028329 k( 152) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028329 k( 153) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 166) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0028329 k( 167) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0028329 k( 168) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0028329 k( 169) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0028329 k( 170) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028329 k( 171) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0028329 k( 172) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0028329 k( 173) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0028329 k( 174) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0028329 k( 175) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028329 k( 176) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0028329 k( 177) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0028329 k( 178) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0028329 k( 179) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0028329 k( 180) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028329 k( 181) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0028329 k( 182) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0028329 k( 183) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0028329 k( 184) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0028329 k( 185) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028329 k( 186) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0028329 k( 187) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0028329 k( 188) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0028329 k( 189) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0028329 k( 190) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028329 k( 191) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0028329 k( 192) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0028329 k( 193) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0028329 k( 194) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0028329 k( 195) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028329 k( 196) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0028329 k( 197) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0028329 k( 198) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0028329 k( 199) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0028329 k( 200) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028329 k( 201) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0028329 k( 202) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0028329 k( 203) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0028329 k( 204) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0028329 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028329 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0028329 k( 209) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0028329 k( 210) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0028329 k( 211) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0028329 k( 212) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0028329 k( 213) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0028329 k( 214) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028329 k( 215) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0028329 k( 216) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028329 k( 217) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0028329 k( 218) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0028329 k( 219) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0028329 k( 220) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0028329 k( 221) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0028329 k( 222) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028329 k( 223) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0028329 k( 224) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0028329 k( 225) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0028329 k( 226) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028329 k( 227) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0028329 k( 228) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0028329 k( 229) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0028329 k( 230) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028329 k( 231) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0028329 k( 232) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0028329 k( 233) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0028329 k( 234) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0028329 k( 235) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0028329 k( 236) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028329 k( 237) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0028329 k( 238) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028329 k( 239) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0028329 k( 240) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0028329 k( 241) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0028329 k( 242) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0028329 k( 243) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0028329 k( 244) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0028329 k( 245) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0028329 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 248) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0028329 k( 249) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0028329 k( 250) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0028329 k( 251) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0028329 k( 252) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0028329 k( 253) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0028329 k( 254) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0028329 k( 255) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0028329 k( 256) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0028329 k( 257) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0028329 k( 258) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0028329 k( 259) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0028329 k( 260) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0028329 k( 261) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0028329 k( 262) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0028329 k( 263) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0028329 k( 264) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0028329 k( 265) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0028329 k( 266) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0028329 k( 267) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028329 k( 268) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0028329 k( 269) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028329 k( 270) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0028329 k( 271) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028329 k( 272) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0028329 k( 273) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028329 k( 274) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0028329 k( 275) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028329 k( 276) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0028329 k( 277) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028329 k( 278) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0028329 k( 279) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028329 k( 280) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0028329 k( 281) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028329 k( 282) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0028329 k( 283) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028329 k( 284) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0028329 k( 285) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028329 k( 286) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0028329 k( 287) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028329 k( 288) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0028329 k( 289) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028329 k( 290) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0028329 k( 291) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028329 k( 292) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0028329 k( 293) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028329 k( 294) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0028329 k( 295) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028329 k( 296) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0028329 k( 297) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028329 k( 298) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0028329 k( 299) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028329 k( 300) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0028329 k( 301) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028329 k( 302) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0028329 k( 303) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 304) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028329 k( 305) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0028329 k( 306) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0028329 k( 307) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0028329 k( 308) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028329 k( 309) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0028329 k( 310) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028329 k( 311) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0028329 k( 312) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028329 k( 313) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0028329 k( 314) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0028329 k( 315) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0028329 k( 316) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028329 k( 317) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0028329 k( 318) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0028329 k( 319) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0028329 k( 320) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028329 k( 321) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0028329 k( 322) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028329 k( 323) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0028329 k( 324) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028329 k( 325) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0028329 k( 326) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0028329 k( 327) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0028329 k( 328) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028329 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028329 k( 330) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0028329 k( 331) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0028329 k( 332) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0028329 k( 333) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028329 k( 334) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0028329 k( 335) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0028329 k( 336) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0028329 k( 337) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028329 k( 338) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0028329 k( 339) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0028329 k( 340) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0028329 k( 341) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028329 k( 342) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0028329 k( 343) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0028329 k( 344) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0028329 k( 345) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028329 k( 346) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0028329 k( 347) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0028329 k( 348) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0028329 k( 349) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028329 k( 350) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0028329 k( 351) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0028329 k( 352) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0028329 k( 353) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 Dense grid: 51121 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 30755 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 240, 56) NL pseudopotentials 0.37 Mb ( 120, 204) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1421) G-vector shells 0.01 Mb ( 670) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 240, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.35 Mb ( 204, 2, 56) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YFeSi.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.7 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.9 secs Computing kpt #: 20 total cpu time spent up to now is 14.4 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.3 secs Computing kpt #: 23 total cpu time spent up to now is 15.7 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.5 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 19.8 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.8 secs Computing kpt #: 42 total cpu time spent up to now is 25.4 secs Computing kpt #: 43 total cpu time spent up to now is 26.1 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.4 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.3 secs Computing kpt #: 49 total cpu time spent up to now is 29.8 secs Computing kpt #: 50 total cpu time spent up to now is 30.4 secs Computing kpt #: 51 total cpu time spent up to now is 30.9 secs Computing kpt #: 52 total cpu time spent up to now is 31.4 secs Computing kpt #: 53 total cpu time spent up to now is 31.9 secs Computing kpt #: 54 total cpu time spent up to now is 32.4 secs Computing kpt #: 55 total cpu time spent up to now is 32.8 secs Computing kpt #: 56 total cpu time spent up to now is 33.3 secs Computing kpt #: 57 total cpu time spent up to now is 33.7 secs Computing kpt #: 58 total cpu time spent up to now is 34.2 secs Computing kpt #: 59 total cpu time spent up to now is 34.6 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.5 secs Computing kpt #: 62 total cpu time spent up to now is 35.9 secs Computing kpt #: 63 total cpu time spent up to now is 36.3 secs Computing kpt #: 64 total cpu time spent up to now is 36.7 secs Computing kpt #: 65 total cpu time spent up to now is 37.1 secs Computing kpt #: 66 total cpu time spent up to now is 37.6 secs Computing kpt #: 67 total cpu time spent up to now is 38.0 secs Computing kpt #: 68 total cpu time spent up to now is 38.4 secs Computing kpt #: 69 total cpu time spent up to now is 38.8 secs Computing kpt #: 70 total cpu time spent up to now is 39.2 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 39.9 secs Computing kpt #: 73 total cpu time spent up to now is 40.3 secs Computing kpt #: 74 total cpu time spent up to now is 40.7 secs Computing kpt #: 75 total cpu time spent up to now is 41.1 secs Computing kpt #: 76 total cpu time spent up to now is 41.5 secs Computing kpt #: 77 total cpu time spent up to now is 41.9 secs Computing kpt #: 78 total cpu time spent up to now is 42.3 secs Computing kpt #: 79 total cpu time spent up to now is 42.7 secs Computing kpt #: 80 total cpu time spent up to now is 43.1 secs Computing kpt #: 81 total cpu time spent up to now is 43.4 secs Computing kpt #: 82 total cpu time spent up to now is 43.8 secs Computing kpt #: 83 total cpu time spent up to now is 44.2 secs Computing kpt #: 84 total cpu time spent up to now is 44.6 secs Computing kpt #: 85 total cpu time spent up to now is 45.0 secs Computing kpt #: 86 total cpu time spent up to now is 45.4 secs Computing kpt #: 87 total cpu time spent up to now is 45.8 secs Computing kpt #: 88 total cpu time spent up to now is 46.2 secs Computing kpt #: 89 total cpu time spent up to now is 46.6 secs Computing kpt #: 90 total cpu time spent up to now is 46.9 secs Computing kpt #: 91 total cpu time spent up to now is 47.3 secs Computing kpt #: 92 total cpu time spent up to now is 47.7 secs Computing kpt #: 93 total cpu time spent up to now is 48.1 secs Computing kpt #: 94 total cpu time spent up to now is 48.5 secs Computing kpt #: 95 total cpu time spent up to now is 48.9 secs Computing kpt #: 96 total cpu time spent up to now is 49.4 secs Computing kpt #: 97 total cpu time spent up to now is 49.8 secs Computing kpt #: 98 total cpu time spent up to now is 50.2 secs Computing kpt #: 99 total cpu time spent up to now is 50.6 secs Computing kpt #: 100 total cpu time spent up to now is 51.0 secs Computing kpt #: 101 total cpu time spent up to now is 51.4 secs Computing kpt #: 102 total cpu time spent up to now is 51.8 secs Computing kpt #: 103 total cpu time spent up to now is 52.3 secs Computing kpt #: 104 total cpu time spent up to now is 52.7 secs Computing kpt #: 105 total cpu time spent up to now is 53.1 secs Computing kpt #: 106 total cpu time spent up to now is 53.6 secs Computing kpt #: 107 total cpu time spent up to now is 54.0 secs Computing kpt #: 108 total cpu time spent up to now is 54.5 secs Computing kpt #: 109 total cpu time spent up to now is 55.0 secs Computing kpt #: 110 total cpu time spent up to now is 55.4 secs Computing kpt #: 111 total cpu time spent up to now is 56.0 secs Computing kpt #: 112 total cpu time spent up to now is 56.6 secs Computing kpt #: 113 total cpu time spent up to now is 57.3 secs Computing kpt #: 114 total cpu time spent up to now is 57.9 secs Computing kpt #: 115 total cpu time spent up to now is 58.6 secs Computing kpt #: 116 total cpu time spent up to now is 59.3 secs Computing kpt #: 117 total cpu time spent up to now is 59.9 secs Computing kpt #: 118 total cpu time spent up to now is 60.4 secs Computing kpt #: 119 total cpu time spent up to now is 60.9 secs Computing kpt #: 120 total cpu time spent up to now is 61.4 secs Computing kpt #: 121 total cpu time spent up to now is 61.9 secs Computing kpt #: 122 total cpu time spent up to now is 62.4 secs Computing kpt #: 123 total cpu time spent up to now is 62.9 secs Computing kpt #: 124 total cpu time spent up to now is 63.4 secs Computing kpt #: 125 total cpu time spent up to now is 63.9 secs Computing kpt #: 126 total cpu time spent up to now is 64.3 secs Computing kpt #: 127 total cpu time spent up to now is 64.8 secs Computing kpt #: 128 total cpu time spent up to now is 65.3 secs Computing kpt #: 129 total cpu time spent up to now is 65.8 secs Computing kpt #: 130 total cpu time spent up to now is 66.3 secs Computing kpt #: 131 total cpu time spent up to now is 66.8 secs Computing kpt #: 132 total cpu time spent up to now is 67.4 secs Computing kpt #: 133 total cpu time spent up to now is 67.9 secs Computing kpt #: 134 total cpu time spent up to now is 68.5 secs Computing kpt #: 135 total cpu time spent up to now is 69.1 secs Computing kpt #: 136 total cpu time spent up to now is 70.0 secs Computing kpt #: 137 total cpu time spent up to now is 70.7 secs Computing kpt #: 138 total cpu time spent up to now is 71.5 secs Computing kpt #: 139 total cpu time spent up to now is 72.3 secs Computing kpt #: 140 total cpu time spent up to now is 73.1 secs Computing kpt #: 141 total cpu time spent up to now is 74.0 secs Computing kpt #: 142 total cpu time spent up to now is 74.8 secs Computing kpt #: 143 total cpu time spent up to now is 75.6 secs Computing kpt #: 144 total cpu time spent up to now is 76.3 secs Computing kpt #: 145 total cpu time spent up to now is 76.9 secs Computing kpt #: 146 total cpu time spent up to now is 77.6 secs Computing kpt #: 147 total cpu time spent up to now is 78.2 secs Computing kpt #: 148 total cpu time spent up to now is 78.8 secs Computing kpt #: 149 total cpu time spent up to now is 79.4 secs Computing kpt #: 150 total cpu time spent up to now is 80.0 secs Computing kpt #: 151 total cpu time spent up to now is 80.6 secs Computing kpt #: 152 total cpu time spent up to now is 81.1 secs Computing kpt #: 153 total cpu time spent up to now is 81.7 secs Computing kpt #: 154 total cpu time spent up to now is 82.3 secs Computing kpt #: 155 total cpu time spent up to now is 82.8 secs Computing kpt #: 156 total cpu time spent up to now is 83.3 secs Computing kpt #: 157 total cpu time spent up to now is 83.8 secs Computing kpt #: 158 total cpu time spent up to now is 84.4 secs Computing kpt #: 159 total cpu time spent up to now is 84.9 secs Computing kpt #: 160 total cpu time spent up to now is 85.4 secs Computing kpt #: 161 total cpu time spent up to now is 85.9 secs Computing kpt #: 162 total cpu time spent up to now is 86.4 secs Computing kpt #: 163 total cpu time spent up to now is 86.9 secs Computing kpt #: 164 total cpu time spent up to now is 87.4 secs Computing kpt #: 165 total cpu time spent up to now is 87.9 secs Computing kpt #: 166 total cpu time spent up to now is 88.4 secs Computing kpt #: 167 total cpu time spent up to now is 88.9 secs Computing kpt #: 168 total cpu time spent up to now is 89.4 secs Computing kpt #: 169 total cpu time spent up to now is 89.9 secs Computing kpt #: 170 total cpu time spent up to now is 90.4 secs Computing kpt #: 171 total cpu time spent up to now is 90.9 secs Computing kpt #: 172 total cpu time spent up to now is 91.4 secs Computing kpt #: 173 total cpu time spent up to now is 91.9 secs Computing kpt #: 174 total cpu time spent up to now is 92.3 secs Computing kpt #: 175 total cpu time spent up to now is 92.8 secs Computing kpt #: 176 total cpu time spent up to now is 93.3 secs Computing kpt #: 177 total cpu time spent up to now is 93.8 secs Computing kpt #: 178 total cpu time spent up to now is 94.4 secs Computing kpt #: 179 total cpu time spent up to now is 94.9 secs Computing kpt #: 180 total cpu time spent up to now is 95.4 secs Computing kpt #: 181 total cpu time spent up to now is 95.9 secs Computing kpt #: 182 total cpu time spent up to now is 96.4 secs Computing kpt #: 183 total cpu time spent up to now is 97.0 secs Computing kpt #: 184 total cpu time spent up to now is 97.5 secs Computing kpt #: 185 total cpu time spent up to now is 98.1 secs Computing kpt #: 186 total cpu time spent up to now is 98.6 secs Computing kpt #: 187 total cpu time spent up to now is 99.2 secs Computing kpt #: 188 total cpu time spent up to now is 99.7 secs Computing kpt #: 189 total cpu time spent up to now is 100.2 secs Computing kpt #: 190 total cpu time spent up to now is 100.7 secs Computing kpt #: 191 total cpu time spent up to now is 101.2 secs Computing kpt #: 192 total cpu time spent up to now is 101.7 secs Computing kpt #: 193 total cpu time spent up to now is 102.1 secs Computing kpt #: 194 total cpu time spent up to now is 102.6 secs Computing kpt #: 195 total cpu time spent up to now is 103.1 secs Computing kpt #: 196 total cpu time spent up to now is 103.5 secs Computing kpt #: 197 total cpu time spent up to now is 104.0 secs Computing kpt #: 198 total cpu time spent up to now is 104.4 secs Computing kpt #: 199 total cpu time spent up to now is 104.9 secs Computing kpt #: 200 total cpu time spent up to now is 105.3 secs Computing kpt #: 201 total cpu time spent up to now is 105.8 secs Computing kpt #: 202 total cpu time spent up to now is 106.2 secs Computing kpt #: 203 total cpu time spent up to now is 106.7 secs Computing kpt #: 204 total cpu time spent up to now is 107.1 secs Computing kpt #: 205 total cpu time spent up to now is 107.5 secs Computing kpt #: 206 total cpu time spent up to now is 108.0 secs Computing kpt #: 207 total cpu time spent up to now is 108.4 secs Computing kpt #: 208 total cpu time spent up to now is 108.9 secs Computing kpt #: 209 total cpu time spent up to now is 109.3 secs Computing kpt #: 210 total cpu time spent up to now is 109.7 secs Computing kpt #: 211 total cpu time spent up to now is 110.2 secs Computing kpt #: 212 total cpu time spent up to now is 110.6 secs Computing kpt #: 213 total cpu time spent up to now is 111.1 secs Computing kpt #: 214 total cpu time spent up to now is 111.5 secs Computing kpt #: 215 total cpu time spent up to now is 111.9 secs Computing kpt #: 216 total cpu time spent up to now is 112.4 secs Computing kpt #: 217 total cpu time spent up to now is 112.8 secs Computing kpt #: 218 total cpu time spent up to now is 113.3 secs Computing kpt #: 219 total cpu time spent up to now is 113.7 secs Computing kpt #: 220 total cpu time spent up to now is 114.2 secs Computing kpt #: 221 total cpu time spent up to now is 114.6 secs Computing kpt #: 222 total cpu time spent up to now is 115.0 secs Computing kpt #: 223 total cpu time spent up to now is 115.5 secs Computing kpt #: 224 total cpu time spent up to now is 115.9 secs Computing kpt #: 225 total cpu time spent up to now is 116.3 secs Computing kpt #: 226 total cpu time spent up to now is 116.8 secs Computing kpt #: 227 total cpu time spent up to now is 117.2 secs Computing kpt #: 228 total cpu time spent up to now is 117.6 secs Computing kpt #: 229 total cpu time spent up to now is 118.1 secs Computing kpt #: 230 total cpu time spent up to now is 118.5 secs Computing kpt #: 231 total cpu time spent up to now is 118.9 secs Computing kpt #: 232 total cpu time spent up to now is 119.3 secs Computing kpt #: 233 total cpu time spent up to now is 119.7 secs Computing kpt #: 234 total cpu time spent up to now is 120.1 secs Computing kpt #: 235 total cpu time spent up to now is 120.5 secs Computing kpt #: 236 total cpu time spent up to now is 120.9 secs Computing kpt #: 237 total cpu time spent up to now is 121.3 secs Computing kpt #: 238 total cpu time spent up to now is 121.7 secs Computing kpt #: 239 total cpu time spent up to now is 122.1 secs Computing kpt #: 240 total cpu time spent up to now is 122.5 secs Computing kpt #: 241 total cpu time spent up to now is 122.9 secs Computing kpt #: 242 total cpu time spent up to now is 123.3 secs Computing kpt #: 243 total cpu time spent up to now is 123.7 secs Computing kpt #: 244 total cpu time spent up to now is 124.0 secs Computing kpt #: 245 total cpu time spent up to now is 124.4 secs Computing kpt #: 246 total cpu time spent up to now is 124.8 secs Computing kpt #: 247 total cpu time spent up to now is 125.2 secs Computing kpt #: 248 total cpu time spent up to now is 125.5 secs Computing kpt #: 249 total cpu time spent up to now is 125.9 secs Computing kpt #: 250 total cpu time spent up to now is 126.3 secs Computing kpt #: 251 total cpu time spent up to now is 126.7 secs Computing kpt #: 252 total cpu time spent up to now is 127.1 secs Computing kpt #: 253 total cpu time spent up to now is 127.4 secs Computing kpt #: 254 total cpu time spent up to now is 127.8 secs Computing kpt #: 255 total cpu time spent up to now is 128.2 secs Computing kpt #: 256 total cpu time spent up to now is 128.6 secs Computing kpt #: 257 total cpu time spent up to now is 129.0 secs Computing kpt #: 258 total cpu time spent up to now is 129.4 secs Computing kpt #: 259 total cpu time spent up to now is 129.9 secs Computing kpt #: 260 total cpu time spent up to now is 130.3 secs Computing kpt #: 261 total cpu time spent up to now is 130.7 secs Computing kpt #: 262 total cpu time spent up to now is 131.1 secs Computing kpt #: 263 total cpu time spent up to now is 131.5 secs Computing kpt #: 264 total cpu time spent up to now is 131.9 secs Computing kpt #: 265 total cpu time spent up to now is 132.4 secs Computing kpt #: 266 total cpu time spent up to now is 132.8 secs Computing kpt #: 267 total cpu time spent up to now is 133.2 secs Computing kpt #: 268 total cpu time spent up to now is 133.6 secs Computing kpt #: 269 total cpu time spent up to now is 134.1 secs Computing kpt #: 270 total cpu time spent up to now is 134.5 secs Computing kpt #: 271 total cpu time spent up to now is 134.9 secs Computing kpt #: 272 total cpu time spent up to now is 135.3 secs Computing kpt #: 273 total cpu time spent up to now is 135.8 secs Computing kpt #: 274 total cpu time spent up to now is 136.2 secs Computing kpt #: 275 total cpu time spent up to now is 136.6 secs Computing kpt #: 276 total cpu time spent up to now is 137.1 secs Computing kpt #: 277 total cpu time spent up to now is 137.5 secs Computing kpt #: 278 total cpu time spent up to now is 138.0 secs Computing kpt #: 279 total cpu time spent up to now is 138.4 secs Computing kpt #: 280 total cpu time spent up to now is 138.9 secs Computing kpt #: 281 total cpu time spent up to now is 139.4 secs Computing kpt #: 282 total cpu time spent up to now is 139.8 secs Computing kpt #: 283 total cpu time spent up to now is 140.3 secs Computing kpt #: 284 total cpu time spent up to now is 140.8 secs Computing kpt #: 285 total cpu time spent up to now is 141.3 secs Computing kpt #: 286 total cpu time spent up to now is 141.9 secs Computing kpt #: 287 total cpu time spent up to now is 142.4 secs Computing kpt #: 288 total cpu time spent up to now is 143.1 secs Computing kpt #: 289 total cpu time spent up to now is 143.7 secs Computing kpt #: 290 total cpu time spent up to now is 144.3 secs Computing kpt #: 291 total cpu time spent up to now is 144.9 secs Computing kpt #: 292 total cpu time spent up to now is 145.4 secs Computing kpt #: 293 total cpu time spent up to now is 145.9 secs Computing kpt #: 294 total cpu time spent up to now is 146.4 secs Computing kpt #: 295 total cpu time spent up to now is 146.9 secs Computing kpt #: 296 total cpu time spent up to now is 147.4 secs Computing kpt #: 297 total cpu time spent up to now is 147.9 secs Computing kpt #: 298 total cpu time spent up to now is 148.4 secs Computing kpt #: 299 total cpu time spent up to now is 148.9 secs Computing kpt #: 300 total cpu time spent up to now is 149.4 secs Computing kpt #: 301 total cpu time spent up to now is 149.9 secs Computing kpt #: 302 total cpu time spent up to now is 150.4 secs Computing kpt #: 303 total cpu time spent up to now is 150.9 secs Computing kpt #: 304 total cpu time spent up to now is 151.5 secs Computing kpt #: 305 total cpu time spent up to now is 152.1 secs Computing kpt #: 306 total cpu time spent up to now is 152.7 secs Computing kpt #: 307 total cpu time spent up to now is 153.3 secs Computing kpt #: 308 total cpu time spent up to now is 153.9 secs Computing kpt #: 309 total cpu time spent up to now is 154.4 secs Computing kpt #: 310 total cpu time spent up to now is 155.0 secs Computing kpt #: 311 total cpu time spent up to now is 155.5 secs Computing kpt #: 312 total cpu time spent up to now is 156.0 secs Computing kpt #: 313 total cpu time spent up to now is 156.4 secs Computing kpt #: 314 total cpu time spent up to now is 156.9 secs Computing kpt #: 315 total cpu time spent up to now is 157.4 secs Computing kpt #: 316 total cpu time spent up to now is 157.8 secs Computing kpt #: 317 total cpu time spent up to now is 158.3 secs Computing kpt #: 318 total cpu time spent up to now is 158.7 secs Computing kpt #: 319 total cpu time spent up to now is 159.2 secs Computing kpt #: 320 total cpu time spent up to now is 159.6 secs Computing kpt #: 321 total cpu time spent up to now is 160.1 secs Computing kpt #: 322 total cpu time spent up to now is 160.5 secs Computing kpt #: 323 total cpu time spent up to now is 161.0 secs Computing kpt #: 324 total cpu time spent up to now is 161.4 secs Computing kpt #: 325 total cpu time spent up to now is 161.9 secs Computing kpt #: 326 total cpu time spent up to now is 162.3 secs Computing kpt #: 327 total cpu time spent up to now is 162.7 secs Computing kpt #: 328 total cpu time spent up to now is 163.2 secs Computing kpt #: 329 total cpu time spent up to now is 163.6 secs Computing kpt #: 330 total cpu time spent up to now is 164.0 secs Computing kpt #: 331 total cpu time spent up to now is 164.3 secs Computing kpt #: 332 total cpu time spent up to now is 164.7 secs Computing kpt #: 333 total cpu time spent up to now is 165.1 secs Computing kpt #: 334 total cpu time spent up to now is 165.5 secs Computing kpt #: 335 total cpu time spent up to now is 165.9 secs Computing kpt #: 336 total cpu time spent up to now is 166.3 secs Computing kpt #: 337 total cpu time spent up to now is 166.7 secs Computing kpt #: 338 total cpu time spent up to now is 167.1 secs Computing kpt #: 339 total cpu time spent up to now is 167.5 secs Computing kpt #: 340 total cpu time spent up to now is 167.8 secs Computing kpt #: 341 total cpu time spent up to now is 168.2 secs Computing kpt #: 342 total cpu time spent up to now is 168.6 secs Computing kpt #: 343 total cpu time spent up to now is 169.0 secs Computing kpt #: 344 total cpu time spent up to now is 169.6 secs Computing kpt #: 345 total cpu time spent up to now is 170.1 secs Computing kpt #: 346 total cpu time spent up to now is 170.7 secs Computing kpt #: 347 total cpu time spent up to now is 171.1 secs Computing kpt #: 348 total cpu time spent up to now is 171.4 secs Computing kpt #: 349 total cpu time spent up to now is 171.8 secs Computing kpt #: 350 total cpu time spent up to now is 172.2 secs Computing kpt #: 351 total cpu time spent up to now is 172.6 secs Computing kpt #: 352 total cpu time spent up to now is 173.0 secs Computing kpt #: 353 total cpu time spent up to now is 173.3 secs ethr = 2.17E-08, avg # of iterations = 16.2 total cpu time spent up to now is 173.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9820 -11.9820 -10.7112 -10.7112 -10.6639 -10.6639 -10.5399 -10.5399 -10.5372 -10.5372 1.5243 1.5243 3.4639 3.4639 6.6727 6.6727 7.9440 7.9440 8.4902 8.4902 8.4961 8.4961 9.0532 9.0532 9.2600 9.2600 9.6621 9.6621 9.6754 9.6754 10.5080 10.5080 11.0162 11.0162 11.0400 11.0400 11.2236 11.2236 11.3586 11.3586 11.7616 11.7616 11.8892 11.8892 12.1187 12.1187 13.5545 13.5545 13.6452 13.6452 k = 0.0000 0.0125-0.0000 ( 3799 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9821 -11.9821 -10.7112 -10.7112 -10.6640 -10.6640 -10.5399 -10.5399 -10.5373 -10.5373 1.5257 1.5257 3.4646 3.4646 6.6742 6.6742 7.9445 7.9445 8.4894 8.4894 8.4954 8.4954 9.0539 9.0539 9.2522 9.2522 9.6636 9.6636 9.6786 9.6786 10.5079 10.5079 11.0142 11.0142 11.0379 11.0379 11.2226 11.2226 11.3595 11.3595 11.7607 11.7607 11.8908 11.8908 12.1177 12.1177 13.5509 13.5509 13.6414 13.6414 k = 0.0000 0.0250-0.0000 ( 3807 PWs) bands (ev): -31.0541 -31.0541 -31.0170 -31.0170 -12.1067 -12.1067 -11.9825 -11.9825 -10.7111 -10.7111 -10.6643 -10.6643 -10.5400 -10.5400 -10.5376 -10.5376 1.5301 1.5301 3.4667 3.4667 6.6787 6.6787 7.9462 7.9462 8.4864 8.4864 8.4938 8.4938 9.0560 9.0560 9.2304 9.2304 9.6619 9.6619 9.6932 9.6932 10.5076 10.5076 11.0079 11.0079 11.0321 11.0321 11.2196 11.2196 11.3621 11.3621 11.7582 11.7582 11.8957 11.8957 12.1148 12.1148 13.5385 13.5385 13.6324 13.6324 k = 0.0000 0.0375-0.0000 ( 3813 PWs) bands (ev): -31.0540 -31.0540 -31.0170 -31.0170 -12.1068 -12.1068 -11.9830 -11.9830 -10.7110 -10.7110 -10.6649 -10.6649 -10.5403 -10.5403 -10.5381 -10.5381 1.5373 1.5373 3.4701 3.4701 6.6862 6.6862 7.9491 7.9491 8.4805 8.4805 8.4921 8.4921 9.0594 9.0594 9.1974 9.1974 9.6558 9.6558 9.7176 9.7176 10.5070 10.5070 10.9970 10.9970 11.0233 11.0233 11.2146 11.2146 11.3656 11.3656 11.7540 11.7540 11.9039 11.9039 12.1102 12.1102 13.5142 13.5142 13.6237 13.6237 k = 0.0000 0.0500-0.0000 ( 3823 PWs) bands (ev): -31.0539 -31.0539 -31.0171 -31.0171 -12.1068 -12.1068 -11.9837 -11.9837 -10.7109 -10.7109 -10.6656 -10.6656 -10.5410 -10.5410 -10.5384 -10.5384 1.5474 1.5474 3.4748 3.4748 6.6967 6.6967 7.9528 7.9528 8.4716 8.4716 8.4905 8.4905 9.0642 9.0642 9.1563 9.1563 9.6466 9.6466 9.7478 9.7478 10.5062 10.5062 10.9814 10.9814 11.0123 11.0123 11.2077 11.2077 11.3694 11.3694 11.7478 11.7478 11.9153 11.9153 12.1046 12.1046 13.4775 13.4775 13.6140 13.6140 k = 0.0000 0.0625-0.0000 ( 3823 PWs) bands (ev): -31.0536 -31.0536 -31.0171 -31.0171 -12.1068 -12.1068 -11.9846 -11.9846 -10.7107 -10.7107 -10.6665 -10.6665 -10.5422 -10.5422 -10.5385 -10.5385 1.5603 1.5603 3.4809 3.4809 6.7102 6.7102 7.9575 7.9575 8.4601 8.4601 8.4886 8.4886 9.0696 9.0696 9.1102 9.1102 9.6346 9.6346 9.7812 9.7812 10.5049 10.5049 10.9616 10.9616 10.9995 10.9995 11.1990 11.1990 11.3726 11.3726 11.7394 11.7394 11.9297 11.9297 12.0986 12.0986 13.4315 13.4315 13.5477 13.5477 k = 0.0000 0.0750-0.0000 ( 3835 PWs) bands (ev): -31.0534 -31.0534 -31.0172 -31.0172 -12.1068 -12.1068 -11.9858 -11.9858 -10.7106 -10.7106 -10.6676 -10.6676 -10.5437 -10.5437 -10.5384 -10.5384 1.5761 1.5761 3.4881 3.4881 6.7265 6.7265 7.9625 7.9625 8.4460 8.4460 8.4865 8.4865 9.0551 9.0551 9.0812 9.0812 9.6200 9.6200 9.8162 9.8162 10.5033 10.5033 10.9382 10.9382 10.9848 10.9848 11.1885 11.1885 11.3741 11.3741 11.7287 11.7287 11.9467 11.9467 12.0930 12.0930 13.3798 13.3798 13.4716 13.4716 k = 0.0000 0.0875-0.0000 ( 3831 PWs) bands (ev): -31.0531 -31.0531 -31.0172 -31.0172 -12.1069 -12.1069 -11.9871 -11.9871 -10.7104 -10.7104 -10.6688 -10.6688 -10.5457 -10.5457 -10.5383 -10.5383 1.5947 1.5947 3.4965 3.4965 6.7458 6.7458 7.9678 7.9678 8.4295 8.4295 8.4843 8.4843 9.0032 9.0032 9.0884 9.0884 9.6030 9.6030 9.8518 9.8518 10.5013 10.5013 10.9122 10.9122 10.9684 10.9684 11.1762 11.1762 11.3730 11.3730 11.7153 11.7153 11.9662 11.9662 12.0887 12.0887 13.3249 13.3249 13.3950 13.3950 k = 0.0000 0.1000-0.0000 ( 3829 PWs) bands (ev): -31.0527 -31.0527 -31.0173 -31.0173 -12.1069 -12.1069 -11.9886 -11.9886 -10.7103 -10.7103 -10.6700 -10.6700 -10.5478 -10.5478 -10.5382 -10.5382 1.6161 1.6161 3.5060 3.5060 6.7680 6.7680 7.9728 7.9728 8.4107 8.4107 8.4819 8.4819 8.9483 8.9483 9.0983 9.0983 9.5838 9.5838 9.8872 9.8872 10.4986 10.4986 10.8838 10.8838 10.9501 10.9501 11.1621 11.1621 11.3685 11.3685 11.6991 11.6991 11.9878 11.9878 12.0869 12.0869 13.2689 13.2689 13.3192 13.3192 k = 0.0000 0.1125-0.0000 ( 3823 PWs) bands (ev): -31.0524 -31.0524 -31.0174 -31.0174 -12.1069 -12.1069 -11.9903 -11.9903 -10.7102 -10.7102 -10.6713 -10.6713 -10.5503 -10.5503 -10.5380 -10.5380 1.6402 1.6402 3.5164 3.5164 6.7929 6.7929 7.9770 7.9770 8.3897 8.3897 8.4794 8.4794 8.8930 8.8930 9.1095 9.1095 9.5625 9.5625 9.9220 9.9220 10.4953 10.4953 10.8538 10.8538 10.9302 10.9302 11.1463 11.1463 11.3598 11.3598 11.6796 11.6796 12.0113 12.0113 12.0884 12.0884 13.2130 13.2130 13.2447 13.2447 k = 0.0000 0.1250-0.0000 ( 3825 PWs) bands (ev): -31.0519 -31.0519 -31.0175 -31.0175 -12.1069 -12.1069 -11.9921 -11.9921 -10.7102 -10.7102 -10.6727 -10.6727 -10.5529 -10.5529 -10.5379 -10.5379 1.6670 1.6670 3.5278 3.5278 6.8207 6.8207 7.9794 7.9794 8.3664 8.3664 8.4769 8.4769 8.8385 8.8385 9.1220 9.1220 9.5392 9.5392 9.9557 9.9557 10.4913 10.4913 10.8226 10.8226 10.9085 10.9085 11.1290 11.1290 11.3465 11.3465 11.6569 11.6569 12.0362 12.0362 12.0941 12.0941 13.1578 13.1578 13.1723 13.1723 k = 0.0000 0.1375-0.0000 ( 3837 PWs) bands (ev): -31.0515 -31.0515 -31.0176 -31.0176 -12.1069 -12.1069 -11.9942 -11.9942 -10.7104 -10.7104 -10.6740 -10.6740 -10.5557 -10.5557 -10.5378 -10.5378 1.6964 1.6964 3.5398 3.5398 6.8511 6.8511 7.9793 7.9793 8.3410 8.3410 8.4742 8.4742 8.7861 8.7861 9.1356 9.1356 9.5141 9.5141 9.9879 9.9879 10.4863 10.4863 10.7906 10.7906 10.8852 10.8852 11.1099 11.1099 11.3283 11.3283 11.6308 11.6308 12.0620 12.0620 12.1048 12.1048 13.0979 13.0979 13.1085 13.1085 k = 0.0000 0.1500-0.0000 ( 3844 PWs) bands (ev): -31.0510 -31.0510 -31.0178 -31.0178 -12.1069 -12.1069 -11.9964 -11.9964 -10.7107 -10.7107 -10.6752 -10.6752 -10.5587 -10.5587 -10.5378 -10.5378 1.7285 1.7285 3.5525 3.5525 6.8842 6.8842 7.9755 7.9755 8.3137 8.3137 8.4717 8.4717 8.7373 8.7373 9.1503 9.1503 9.4874 9.4874 10.0184 10.0184 10.4803 10.4803 10.7580 10.7580 10.8605 10.8605 11.0894 11.0894 11.3053 11.3053 11.6014 11.6014 12.0886 12.0886 12.1207 12.1207 13.0299 13.0299 13.0577 13.0577 k = 0.0000 0.1625-0.0000 ( 3840 PWs) bands (ev): -31.0504 -31.0504 -31.0179 -31.0179 -12.1069 -12.1069 -11.9988 -11.9988 -10.7111 -10.7111 -10.6764 -10.6764 -10.5618 -10.5618 -10.5378 -10.5378 1.7631 1.7631 3.5657 3.5657 6.9199 6.9199 7.9666 7.9666 8.2846 8.2846 8.4693 8.4693 8.6938 8.6938 9.1661 9.1661 9.4592 9.4592 10.0468 10.0468 10.4733 10.4733 10.7253 10.7253 10.8344 10.8344 11.0677 11.0677 11.2778 11.2778 11.5687 11.5687 12.1155 12.1155 12.1420 12.1420 12.9631 12.9631 13.0113 13.0113 k = 0.0000 0.1750-0.0000 ( 3840 PWs) bands (ev): -31.0498 -31.0498 -31.0181 -31.0181 -12.1069 -12.1069 -12.0013 -12.0013 -10.7118 -10.7118 -10.6774 -10.6774 -10.5649 -10.5649 -10.5378 -10.5378 1.8001 1.8001 3.5791 3.5791 6.9580 6.9580 7.9513 7.9513 8.2537 8.2537 8.4671 8.4671 8.6571 8.6571 9.1828 9.1828 9.4298 9.4298 10.0727 10.0727 10.4649 10.4649 10.6928 10.6928 10.8069 10.8069 11.0448 11.0448 11.2463 11.2463 11.5329 11.5329 12.1422 12.1422 12.1685 12.1685 12.8985 12.8985 12.9694 12.9694 k = 0.0000 0.1875-0.0000 ( 3840 PWs) bands (ev): -31.0492 -31.0492 -31.0182 -31.0182 -12.1068 -12.1068 -12.0039 -12.0039 -10.7126 -10.7126 -10.6784 -10.6784 -10.5680 -10.5680 -10.5380 -10.5380 1.8396 1.8396 3.5927 3.5927 6.9985 6.9985 7.9287 7.9287 8.2213 8.2213 8.4650 8.4650 8.6286 8.6286 9.2004 9.2004 9.3992 9.3992 10.0958 10.0958 10.4552 10.4552 10.6606 10.6606 10.7783 10.7783 11.0209 11.0209 11.2115 11.2115 11.4944 11.4944 12.1681 12.1681 12.1999 12.1999 12.8361 12.8361 12.9325 12.9325 k = 0.0000 0.2000-0.0000 ( 3838 PWs) bands (ev): -31.0486 -31.0486 -31.0184 -31.0184 -12.1067 -12.1067 -12.0067 -12.0067 -10.7137 -10.7137 -10.6792 -10.6792 -10.5712 -10.5712 -10.5382 -10.5382 1.8814 1.8814 3.6061 3.6061 7.0412 7.0412 7.8983 7.8983 8.1875 8.1875 8.4634 8.4634 8.6088 8.6088 9.2187 9.2187 9.3678 9.3678 10.1157 10.1157 10.4441 10.4441 10.6291 10.6291 10.7485 10.7485 10.9963 10.9963 11.1741 11.1741 11.4536 11.4536 12.1922 12.1922 12.2363 12.2363 12.7762 12.7762 12.9015 12.9015 k = 0.0000 0.2125-0.0000 ( 3832 PWs) bands (ev): -31.0479 -31.0479 -31.0186 -31.0186 -12.1066 -12.1066 -12.0096 -12.0096 -10.7149 -10.7149 -10.6800 -10.6800 -10.5742 -10.5742 -10.5385 -10.5385 1.9255 1.9255 3.6192 3.6192 7.0860 7.0860 7.8603 7.8603 8.1524 8.1524 8.4622 8.4622 8.5980 8.5980 9.2376 9.2376 9.3360 9.3360 10.1318 10.1318 10.4313 10.4313 10.5985 10.5985 10.7177 10.7177 10.9712 10.9712 11.1348 11.1348 11.4107 11.4107 12.2134 12.2134 12.2775 12.2775 12.7189 12.7189 12.8773 12.8773 k = 0.0000 0.2250-0.0000 ( 3836 PWs) bands (ev): -31.0472 -31.0472 -31.0189 -31.0189 -12.1064 -12.1064 -12.0126 -12.0126 -10.7162 -10.7162 -10.6807 -10.6807 -10.5771 -10.5771 -10.5389 -10.5389 1.9717 1.9717 3.6318 3.6318 7.1327 7.1327 7.8158 7.8158 8.1163 8.1163 8.4613 8.4613 8.5952 8.5952 9.2558 9.2558 9.3050 9.3050 10.1438 10.1438 10.4169 10.4169 10.5689 10.5689 10.6859 10.6859 10.9459 10.9459 11.0944 11.0944 11.3663 11.3663 12.2307 12.2307 12.3234 12.3234 12.6640 12.6640 12.8609 12.8609 k = 0.0000 0.2375-0.0000 ( 3840 PWs) bands (ev): -31.0465 -31.0465 -31.0191 -31.0191 -12.1062 -12.1062 -12.0157 -12.0157 -10.7176 -10.7176 -10.6814 -10.6814 -10.5799 -10.5799 -10.5393 -10.5393 2.0201 2.0201 3.6435 3.6435 7.1811 7.1811 7.7661 7.7661 8.0795 8.0795 8.4610 8.4610 8.5994 8.5994 9.2587 9.2587 9.2896 9.2896 10.1511 10.1511 10.4006 10.4006 10.5408 10.5408 10.6532 10.6532 10.9207 10.9207 11.0537 11.0537 11.3208 11.3208 12.2433 12.2433 12.3735 12.3735 12.6118 12.6118 12.8530 12.8530 k = 0.0000 0.2500-0.0000 ( 3844 PWs) bands (ev): -31.0457 -31.0457 -31.0194 -31.0194 -12.1060 -12.1060 -12.0189 -12.0189 -10.7191 -10.7191 -10.6822 -10.6822 -10.5824 -10.5824 -10.5399 -10.5399 2.0704 2.0704 3.6542 3.6542 7.2308 7.2308 7.7127 7.7127 8.0423 8.0423 8.4612 8.4612 8.6094 8.6094 9.2304 9.2304 9.3058 9.3058 10.1535 10.1535 10.3825 10.3825 10.5143 10.5143 10.6196 10.6196 10.8958 10.8958 11.0134 11.0134 11.2744 11.2744 12.2506 12.2506 12.4276 12.4276 12.5624 12.5624 12.8541 12.8541 k = 0.0000 0.2625-0.0000 ( 3844 PWs) bands (ev): -31.0450 -31.0450 -31.0197 -31.0197 -12.1057 -12.1057 -12.0221 -12.0221 -10.7206 -10.7206 -10.6831 -10.6831 -10.5847 -10.5847 -10.5406 -10.5406 2.1226 2.1226 3.6634 3.6634 7.2814 7.2814 7.6571 7.6571 8.0051 8.0051 8.4620 8.4620 8.6239 8.6239 9.1973 9.1973 9.3275 9.3275 10.1506 10.1506 10.3624 10.3624 10.4897 10.4897 10.5853 10.5853 10.8714 10.8714 10.9743 10.9743 11.2277 11.2277 12.2526 12.2526 12.4834 12.4834 12.5177 12.5177 12.8643 12.8643 k = 0.0000 0.2750-0.0000 ( 3848 PWs) bands (ev): -31.0442 -31.0442 -31.0200 -31.0200 -12.1053 -12.1053 -12.0254 -12.0254 -10.7222 -10.7222 -10.6842 -10.6842 -10.5866 -10.5866 -10.5414 -10.5414 2.1766 2.1766 3.6710 3.6710 7.3321 7.3321 7.6006 7.6006 7.9687 7.9687 8.4634 8.4634 8.6419 8.6419 9.1634 9.1634 9.3506 9.3506 10.1424 10.1424 10.3401 10.3401 10.4671 10.4671 10.5504 10.5504 10.8478 10.8478 10.9371 10.9371 11.1810 11.1810 12.2498 12.2498 12.4687 12.4687 12.5497 12.5497 12.8831 12.8831 k = 0.0000 0.2875-0.0000 ( 3852 PWs) bands (ev): -31.0434 -31.0434 -31.0203 -31.0203 -12.1048 -12.1048 -12.0288 -12.0288 -10.7236 -10.7236 -10.6854 -10.6854 -10.5882 -10.5882 -10.5423 -10.5423 2.2322 2.2322 3.6767 3.6767 7.3819 7.3819 7.5446 7.5446 7.9342 7.9342 8.4655 8.4655 8.6623 8.6623 9.1293 9.1293 9.3747 9.3747 10.1291 10.1291 10.3157 10.3157 10.4464 10.4464 10.5149 10.5149 10.8247 10.8247 10.9023 10.9023 11.1345 11.1345 12.2428 12.2428 12.4274 12.4274 12.6142 12.6142 12.9097 12.9097 k = 0.0000 0.3000-0.0000 ( 3852 PWs) bands (ev): -31.0426 -31.0426 -31.0207 -31.0207 -12.1043 -12.1043 -12.0322 -12.0322 -10.7250 -10.7250 -10.6869 -10.6869 -10.5895 -10.5895 -10.5433 -10.5433 2.2894 2.2894 3.6800 3.6800 7.4282 7.4282 7.4907 7.4907 7.9032 7.9032 8.4683 8.4683 8.6843 8.6843 9.0952 9.0952 9.3995 9.3995 10.1111 10.1111 10.2893 10.2893 10.4273 10.4273 10.4789 10.4789 10.8022 10.8022 10.8705 10.8705 11.0887 11.0887 12.2327 12.2327 12.3883 12.3883 12.6822 12.6822 12.9430 12.9430 k = 0.0000 0.3125-0.0000 ( 3860 PWs) bands (ev): -31.0417 -31.0417 -31.0210 -31.0210 -12.1037 -12.1037 -12.0356 -12.0356 -10.7263 -10.7263 -10.6886 -10.6886 -10.5903 -10.5903 -10.5444 -10.5444 2.3479 2.3479 3.6808 3.6808 7.4328 7.4328 7.4754 7.4754 7.8786 7.8786 8.4719 8.4719 8.7069 8.7069 9.0614 9.0614 9.4250 9.4250 10.0890 10.0890 10.2613 10.2613 10.4096 10.4096 10.4425 10.4425 10.7799 10.7799 10.8421 10.8421 11.0440 11.0440 12.2204 12.2204 12.3515 12.3515 12.7529 12.7529 12.9819 12.9819 k = 0.0000 0.3250-0.0000 ( 3852 PWs) bands (ev): -31.0409 -31.0409 -31.0214 -31.0214 -12.1030 -12.1030 -12.0391 -12.0391 -10.7275 -10.7275 -10.6904 -10.6904 -10.5908 -10.5908 -10.5456 -10.5456 2.4077 2.4077 3.6786 3.6786 7.3847 7.3847 7.5061 7.5061 7.8648 7.8648 8.4762 8.4762 8.7294 8.7294 9.0280 9.0280 9.4513 9.4513 10.0636 10.0636 10.2320 10.2320 10.3926 10.3926 10.4062 10.4062 10.7578 10.7578 10.8174 10.8174 11.0007 11.0007 12.2068 12.2068 12.3174 12.3174 12.8258 12.8258 13.0258 13.0258 k = 0.0000 0.3375-0.0000 ( 3852 PWs) bands (ev): -31.0401 -31.0401 -31.0219 -31.0219 -12.1023 -12.1023 -12.0425 -12.0425 -10.7285 -10.7285 -10.6925 -10.6925 -10.5909 -10.5909 -10.5470 -10.5470 2.4686 2.4686 3.6734 3.6734 7.3384 7.3384 7.5238 7.5238 7.8667 7.8667 8.4815 8.4815 8.7508 8.7508 8.9951 8.9951 9.4782 9.4782 10.0356 10.0356 10.2019 10.2019 10.3675 10.3675 10.3789 10.3789 10.7355 10.7355 10.7963 10.7963 10.9595 10.9595 12.1925 12.1925 12.2857 12.2857 12.9004 12.9004 13.0736 13.0736 k = 0.0000 0.3500-0.0000 ( 3862 PWs) bands (ev): -31.0392 -31.0392 -31.0223 -31.0223 -12.1014 -12.1014 -12.0459 -12.0459 -10.7294 -10.7294 -10.6948 -10.6948 -10.5907 -10.5907 -10.5484 -10.5484 2.5304 2.5304 3.6647 3.6647 7.2959 7.2959 7.5244 7.5244 7.8871 7.8871 8.4875 8.4875 8.7705 8.7705 8.9627 8.9627 9.5057 9.5057 10.0061 10.0061 10.1713 10.1713 10.3309 10.3309 10.3641 10.3641 10.7124 10.7124 10.7784 10.7784 10.9209 10.9209 12.1780 12.1780 12.2564 12.2564 12.9763 12.9763 13.1248 13.1248 k = 0.0000 0.3625-0.0000 ( 3858 PWs) bands (ev): -31.0384 -31.0384 -31.0228 -31.0228 -12.1004 -12.1004 -12.0493 -12.0493 -10.7300 -10.7300 -10.6972 -10.6972 -10.5901 -10.5901 -10.5499 -10.5499 2.5929 2.5929 3.6524 3.6524 7.2579 7.2579 7.5100 7.5100 7.9239 7.9239 8.4947 8.4947 8.7874 8.7874 8.9310 8.9310 9.5339 9.5339 9.9759 9.9759 10.1406 10.1406 10.2938 10.2938 10.3510 10.3510 10.6882 10.6882 10.7635 10.7635 10.8855 10.8855 12.1639 12.1639 12.2297 12.2297 13.0527 13.0527 13.1790 13.1790 k = 0.0000 0.3750-0.0000 ( 3850 PWs) bands (ev): -31.0375 -31.0375 -31.0233 -31.0233 -12.0994 -12.0994 -12.0526 -12.0526 -10.7305 -10.7305 -10.6997 -10.6997 -10.5892 -10.5892 -10.5515 -10.5515 2.6560 2.6560 3.6362 3.6362 7.2246 7.2246 7.4855 7.4855 7.9721 7.9721 8.5027 8.5027 8.8006 8.8006 8.9001 8.9001 9.5627 9.5627 9.9462 9.9462 10.1101 10.1101 10.2566 10.2566 10.3399 10.3399 10.6623 10.6623 10.7511 10.7511 10.8540 10.8540 12.1504 12.1504 12.2054 12.2054 13.1291 13.1291 13.2358 13.2358 k = 0.0000 0.3875-0.0000 ( 3842 PWs) bands (ev): -31.0367 -31.0367 -31.0238 -31.0238 -12.0981 -12.0981 -12.0559 -12.0559 -10.7308 -10.7308 -10.7023 -10.7023 -10.5881 -10.5881 -10.5532 -10.5532 2.7194 2.7194 3.6161 3.6161 7.1965 7.1965 7.4550 7.4550 8.0276 8.0276 8.5118 8.5118 8.8092 8.8092 8.8701 8.8701 9.5920 9.5920 9.9182 9.9182 10.0802 10.0802 10.2195 10.2195 10.3307 10.3307 10.6345 10.6345 10.7410 10.7410 10.8268 10.8268 12.1377 12.1377 12.1835 12.1835 13.2047 13.2047 13.2949 13.2949 k = 0.0000 0.4000-0.0000 ( 3846 PWs) bands (ev): -31.0358 -31.0358 -31.0243 -31.0243 -12.0968 -12.0968 -12.0591 -12.0591 -10.7309 -10.7309 -10.7049 -10.7049 -10.5867 -10.5867 -10.5550 -10.5550 2.7830 2.7830 3.5921 3.5921 7.1737 7.1737 7.4215 7.4215 8.0876 8.0876 8.5219 8.5219 8.8119 8.8119 8.8409 8.8409 9.6217 9.6217 9.8930 9.8930 10.0509 10.0509 10.1825 10.1825 10.3239 10.3239 10.6049 10.6049 10.7329 10.7329 10.8038 10.8038 12.1261 12.1261 12.1639 12.1639 13.2789 13.2789 13.3559 13.3559 k = 0.0000 0.4125-0.0000 ( 3848 PWs) bands (ev): -31.0350 -31.0350 -31.0249 -31.0249 -12.0954 -12.0954 -12.0623 -12.0623 -10.7307 -10.7307 -10.7076 -10.7076 -10.5852 -10.5852 -10.5568 -10.5568 2.8464 2.8464 3.5639 3.5639 7.1564 7.1564 7.3866 7.3866 8.1501 8.1501 8.5331 8.5331 8.8070 8.8070 8.8139 8.8139 9.6519 9.6519 9.8716 9.8716 10.0227 10.0227 10.1458 10.1458 10.3198 10.3198 10.5739 10.5739 10.7266 10.7266 10.7847 10.7847 12.1157 12.1157 12.1466 12.1466 13.3507 13.3507 13.4188 13.4188 k = 0.0000 0.4250-0.0000 ( 3842 PWs) bands (ev): -31.0342 -31.0342 -31.0255 -31.0255 -12.0938 -12.0938 -12.0654 -12.0654 -10.7303 -10.7303 -10.7102 -10.7102 -10.5835 -10.5835 -10.5588 -10.5588 2.9094 2.9094 3.5318 3.5318 7.1445 7.1445 7.3517 7.3517 8.2141 8.2141 8.5454 8.5454 8.7846 8.7846 8.7982 8.7982 9.6824 9.6824 9.8550 9.8550 9.9956 9.9956 10.1095 10.1095 10.3186 10.3186 10.5425 10.5425 10.7218 10.7218 10.7690 10.7690 12.1066 12.1066 12.1315 12.1315 13.4195 13.4195 13.4832 13.4832 k = 0.0000 0.4375-0.0000 ( 3844 PWs) bands (ev): -31.0334 -31.0334 -31.0261 -31.0261 -12.0922 -12.0922 -12.0684 -12.0684 -10.7298 -10.7298 -10.7127 -10.7127 -10.5817 -10.5817 -10.5607 -10.5607 2.9718 2.9718 3.4958 3.4958 7.1380 7.1380 7.3177 7.3177 8.2785 8.2785 8.5589 8.5589 8.7586 8.7586 8.7795 8.7795 9.7131 9.7131 9.8437 9.8437 9.9700 9.9700 10.0735 10.0735 10.3204 10.3204 10.5111 10.5111 10.7184 10.7184 10.7561 10.7561 12.0990 12.0990 12.1187 12.1187 13.4846 13.4846 13.5490 13.5490 k = 0.0000 0.4500-0.0000 ( 3852 PWs) bands (ev): -31.0326 -31.0326 -31.0267 -31.0267 -12.0904 -12.0904 -12.0713 -12.0713 -10.7289 -10.7289 -10.7151 -10.7151 -10.5797 -10.5797 -10.5628 -10.5628 3.0333 3.0333 3.4561 3.4561 7.1368 7.1368 7.2851 7.2851 8.3425 8.3425 8.5734 8.5734 8.7335 8.7335 8.7534 8.7534 9.7435 9.7435 9.8379 9.8379 9.9462 9.9462 10.0382 10.0382 10.3255 10.3255 10.4807 10.4807 10.7164 10.7164 10.7455 10.7455 12.0930 12.0930 12.1079 12.1079 13.5452 13.5452 13.6160 13.6160 k = 0.0000 0.4625-0.0000 ( 3852 PWs) bands (ev): -31.0318 -31.0318 -31.0274 -31.0274 -12.0884 -12.0884 -12.0741 -12.0741 -10.7279 -10.7279 -10.7175 -10.7175 -10.5777 -10.5777 -10.5649 -10.5649 3.0936 3.0936 3.4128 3.4128 7.1407 7.1407 7.2546 7.2546 8.4055 8.4055 8.5890 8.5890 8.7095 8.7095 8.7201 8.7201 9.7731 9.7731 9.8375 9.8375 9.9250 9.9250 10.0036 10.0036 10.3339 10.3339 10.4519 10.4519 10.7156 10.7156 10.7369 10.7369 12.0885 12.0885 12.0993 12.0993 13.6010 13.6010 13.6837 13.6837 k = 0.0000 0.4750-0.0000 ( 3860 PWs) bands (ev): -31.0310 -31.0310 -31.0281 -31.0281 -12.0863 -12.0863 -12.0768 -12.0768 -10.7267 -10.7267 -10.7197 -10.7197 -10.5756 -10.5756 -10.5670 -10.5670 3.1524 3.1524 3.3662 3.3662 7.1495 7.1495 7.2267 7.2267 8.4668 8.4668 8.6054 8.6054 8.6800 8.6800 8.6872 8.6872 9.8004 9.8004 9.8414 9.8414 9.9083 9.9083 9.9704 9.9704 10.3457 10.3457 10.4251 10.4251 10.7160 10.7160 10.7299 10.7299 12.0857 12.0857 12.0928 12.0928 13.6514 13.6514 13.7495 13.7495 k = 0.0000 0.4875-0.0000 ( 3860 PWs) bands (ev): -31.0302 -31.0302 -31.0288 -31.0288 -12.0841 -12.0841 -12.0794 -12.0794 -10.7252 -10.7252 -10.7217 -10.7217 -10.5735 -10.5735 -10.5692 -10.5692 3.2093 3.2093 3.3166 3.3166 7.1628 7.1628 7.2018 7.2018 8.5253 8.5253 8.6183 8.6183 8.6393 8.6393 8.6655 8.6655 9.8228 9.8228 9.8447 9.8447 9.9022 9.9022 9.9397 9.9397 10.3608 10.3608 10.4007 10.4007 10.7176 10.7176 10.7245 10.7245 12.0847 12.0847 12.0882 12.0882 13.6964 13.6964 13.7671 13.7671 k = 0.0000 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7235 -10.7235 -10.7235 -10.7235 -10.5713 -10.5713 -10.5713 -10.5713 3.2642 3.2642 3.2642 3.2642 7.1804 7.1804 7.1804 7.1804 8.5800 8.5800 8.5800 8.5800 8.6457 8.6457 8.6457 8.6457 9.8384 9.8384 9.8384 9.8384 9.9144 9.9144 9.9144 9.9144 10.3792 10.3792 10.3792 10.3792 10.7204 10.7204 10.7204 10.7204 12.0855 12.0855 12.0855 12.0855 13.7356 13.7356 13.7356 13.7356 k = 0.0000 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7235 -10.7235 -10.7235 -10.7235 -10.5713 -10.5713 -10.5713 -10.5713 3.2642 3.2642 3.2642 3.2642 7.1804 7.1804 7.1804 7.1804 8.5800 8.5800 8.5800 8.5800 8.6457 8.6457 8.6457 8.6457 9.8384 9.8384 9.8384 9.8384 9.9144 9.9144 9.9144 9.9144 10.3792 10.3792 10.3792 10.3792 10.7204 10.7204 10.7204 10.7204 12.0855 12.0855 12.0855 12.0855 13.7356 13.7356 13.7356 13.7356 k = 0.0125 0.5000-0.0000 ( 3852 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0819 -12.0819 -12.0818 -12.0818 -10.7255 -10.7255 -10.7216 -10.7216 -10.5734 -10.5734 -10.5695 -10.5695 3.2646 3.2646 3.2648 3.2648 7.1798 7.1798 7.1815 7.1815 8.5686 8.5686 8.5786 8.5786 8.6463 8.6463 8.6588 8.6588 9.8126 9.8126 9.8430 9.8430 9.9094 9.9094 9.9410 9.9410 10.3784 10.3784 10.3796 10.3796 10.7190 10.7190 10.7215 10.7215 12.0825 12.0825 12.0862 12.0862 13.7355 13.7355 13.7378 13.7378 k = 0.0250 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0820 -12.0820 -12.0819 -12.0819 -10.7274 -10.7274 -10.7197 -10.7197 -10.5757 -10.5757 -10.5679 -10.5679 3.2661 3.2661 3.2666 3.2666 7.1797 7.1797 7.1831 7.1831 8.5518 8.5518 8.5652 8.5652 8.6597 8.6597 8.6781 8.6781 9.7820 9.7820 9.8206 9.8206 9.9314 9.9314 9.9727 9.9727 10.3770 10.3770 10.3795 10.3795 10.7174 10.7174 10.7222 10.7222 12.0772 12.0772 12.0844 12.0844 13.7376 13.7376 13.7421 13.7421 k = 0.0375 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0294 -31.0294 -31.0294 -31.0294 -12.0822 -12.0822 -12.0820 -12.0820 -10.7293 -10.7293 -10.7177 -10.7177 -10.5782 -10.5782 -10.5665 -10.5665 3.2687 3.2687 3.2694 3.2694 7.1800 7.1800 7.1851 7.1851 8.5336 8.5336 8.5473 8.5473 8.6785 8.6785 8.6996 8.6996 9.7504 9.7504 9.7907 9.7907 9.9610 9.9610 10.0053 10.0053 10.3752 10.3752 10.3789 10.3789 10.7156 10.7156 10.7226 10.7226 12.0696 12.0696 12.0801 12.0801 13.7414 13.7414 13.7479 13.7479 k = 0.0500 0.5000-0.0000 ( 3860 PWs) bands (ev): -31.0294 -31.0294 -31.0294 -31.0294 -12.0825 -12.0825 -12.0822 -12.0822 -10.7312 -10.7312 -10.7158 -10.7158 -10.5809 -10.5809 -10.5653 -10.5653 3.2723 3.2723 3.2733 3.2733 7.1806 7.1806 7.1874 7.1874 8.5156 8.5156 8.5285 8.5285 8.6995 8.6995 8.7221 8.7221 9.7190 9.7190 9.7596 9.7596 9.9918 9.9918 10.0379 10.0379 10.3730 10.3730 10.3781 10.3781 10.7138 10.7138 10.7229 10.7229 12.0597 12.0597 12.0733 12.0733 13.7448 13.7448 13.7525 13.7526 k = 0.0625 0.5000-0.0000 ( 3852 PWs) bands (ev): -31.0293 -31.0293 -31.0293 -31.0293 -12.0828 -12.0828 -12.0824 -12.0824 -10.7330 -10.7330 -10.7139 -10.7139 -10.5837 -10.5837 -10.5644 -10.5644 3.2771 3.2771 3.2782 3.2782 7.1813 7.1813 7.1898 7.1898 8.4983 8.4983 8.5100 8.5100 8.7214 8.7214 8.7451 8.7451 9.6881 9.6881 9.7286 9.7286 10.0222 10.0222 10.0694 10.0694 10.3707 10.3707 10.3772 10.3772 10.7121 10.7121 10.7231 10.7231 12.0473 12.0473 12.0638 12.0638 13.7238 13.7238 13.7294 13.7294 k = 0.0750 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0292 -31.0292 -31.0292 -31.0292 -12.0832 -12.0832 -12.0828 -12.0828 -10.7349 -10.7349 -10.7120 -10.7120 -10.5868 -10.5868 -10.5637 -10.5637 3.2828 3.2828 3.2841 3.2841 7.1818 7.1818 7.1920 7.1920 8.4824 8.4824 8.4925 8.4925 8.7438 8.7438 8.7683 8.7683 9.6581 9.6581 9.6982 9.6982 10.0511 10.0511 10.0993 10.0993 10.3686 10.3686 10.3764 10.3764 10.7108 10.7108 10.7234 10.7234 12.0325 12.0325 12.0514 12.0514 13.6698 13.6698 13.6747 13.6747 k = 0.0875 0.5000-0.0000 ( 3868 PWs) bands (ev): -31.0291 -31.0291 -31.0291 -31.0291 -12.0836 -12.0836 -12.0831 -12.0831 -10.7367 -10.7367 -10.7101 -10.7101 -10.5900 -10.5900 -10.5632 -10.5632 3.2895 3.2895 3.2910 3.2910 7.1820 7.1820 7.1937 7.1937 8.4681 8.4681 8.4767 8.4767 8.7666 8.7666 8.7916 8.7916 9.6291 9.6291 9.6688 9.6688 10.0779 10.0779 10.1266 10.1266 10.3673 10.3673 10.3763 10.3763 10.7101 10.7101 10.7241 10.7241 12.0152 12.0152 12.0361 12.0361 13.6086 13.6086 13.6126 13.6126 k = 0.1000 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0289 -31.0289 -31.0289 -31.0289 -12.0841 -12.0841 -12.0836 -12.0836 -10.7384 -10.7384 -10.7082 -10.7082 -10.5934 -10.5934 -10.5629 -10.5629 3.2972 3.2972 3.2989 3.2989 7.1814 7.1814 7.1947 7.1947 8.4559 8.4559 8.4629 8.4629 8.7895 8.7895 8.8149 8.8149 9.6012 9.6012 9.6404 9.6404 10.1017 10.1017 10.1502 10.1502 10.3679 10.3679 10.3774 10.3774 10.7100 10.7100 10.7252 10.7252 11.9953 11.9953 12.0178 12.0178 13.5444 13.5444 13.5472 13.5472 k = 0.1125 0.5000-0.0000 ( 3858 PWs) bands (ev): -31.0288 -31.0288 -31.0288 -31.0288 -12.0846 -12.0846 -12.0841 -12.0841 -10.7402 -10.7402 -10.7064 -10.7064 -10.5969 -10.5969 -10.5628 -10.5628 3.3059 3.3059 3.3078 3.3078 7.1799 7.1799 7.1946 7.1946 8.4462 8.4462 8.4516 8.4516 8.8127 8.8127 8.8383 8.8383 9.5747 9.5747 9.6132 9.6132 10.1217 10.1217 10.1687 10.1687 10.3714 10.3714 10.3804 10.3804 10.7109 10.7109 10.7269 10.7269 11.9729 11.9729 11.9966 11.9966 13.4787 13.4787 13.4801 13.4801 k = 0.1250 0.5000-0.0000 ( 3852 PWs) bands (ev): -31.0286 -31.0286 -31.0286 -31.0286 -12.0852 -12.0852 -12.0846 -12.0846 -10.7418 -10.7418 -10.7046 -10.7046 -10.6005 -10.6005 -10.5630 -10.5630 3.3155 3.3155 3.3175 3.3175 7.1770 7.1770 7.1931 7.1931 8.4393 8.4393 8.4431 8.4431 8.8360 8.8360 8.8617 8.8617 9.5494 9.5494 9.5873 9.5873 10.1370 10.1370 10.1811 10.1811 10.3789 10.3789 10.3858 10.3858 10.7128 10.7128 10.7294 10.7294 11.9480 11.9480 11.9724 11.9724 13.4121 13.4121 13.4124 13.4124 k = 0.1375 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0285 -31.0285 -31.0285 -31.0285 -12.0859 -12.0859 -12.0852 -12.0852 -10.7435 -10.7435 -10.7029 -10.7029 -10.6042 -10.6042 -10.5633 -10.5633 3.3259 3.3259 3.3281 3.3281 7.1724 7.1724 7.1898 7.1898 8.4356 8.4356 8.4379 8.4379 8.8594 8.8594 8.8850 8.8850 9.5255 9.5255 9.5628 9.5628 10.1472 10.1472 10.1867 10.1867 10.3908 10.3908 10.3942 10.3942 10.7156 10.7156 10.7327 10.7327 11.9206 11.9206 11.9454 11.9454 13.3440 13.3440 13.3460 13.3460 k = 0.1500 0.5000-0.0000 ( 3860 PWs) bands (ev): -31.0283 -31.0283 -31.0283 -31.0283 -12.0866 -12.0866 -12.0859 -12.0859 -10.7451 -10.7451 -10.7013 -10.7013 -10.6079 -10.6079 -10.5638 -10.5638 3.3371 3.3371 3.3395 3.3395 7.1659 7.1659 7.1843 7.1843 8.4354 8.4354 8.4363 8.4363 8.8830 8.8830 8.9084 8.9084 9.5031 9.5031 9.5395 9.5395 10.1520 10.1520 10.1861 10.1861 10.4056 10.4056 10.4066 10.4066 10.7196 10.7196 10.7369 10.7369 11.8908 11.8908 11.9156 11.9156 13.2762 13.2762 13.2801 13.2801 k = 0.1625 0.5000-0.0000 ( 3858 PWs) bands (ev): -31.0281 -31.0281 -31.0281 -31.0281 -12.0873 -12.0873 -12.0866 -12.0866 -10.7466 -10.7466 -10.6998 -10.6998 -10.6117 -10.6117 -10.5645 -10.5645 3.3491 3.3491 3.3516 3.3516 7.1572 7.1572 7.1766 7.1766 8.4385 8.4385 8.4389 8.4389 8.9067 8.9067 8.9318 8.9318 9.4820 9.4820 9.5177 9.5177 10.1520 10.1520 10.1805 10.1805 10.4195 10.4195 10.4252 10.4252 10.7246 10.7246 10.7420 10.7420 11.8590 11.8590 11.8834 11.8834 13.2092 13.2092 13.2150 13.2150 k = 0.1750 0.5000-0.0000 ( 3850 PWs) bands (ev): -31.0279 -31.0279 -31.0279 -31.0279 -12.0881 -12.0881 -12.0873 -12.0873 -10.7481 -10.7481 -10.6984 -10.6984 -10.6154 -10.6154 -10.5653 -10.5653 3.3619 3.3619 3.3644 3.3644 7.1463 7.1463 7.1664 7.1664 8.4447 8.4447 8.4462 8.4462 8.9305 8.9305 8.9552 8.9552 9.4625 9.4625 9.4974 9.4974 10.1479 10.1479 10.1710 10.1710 10.4353 10.4353 10.4453 10.4453 10.7307 10.7307 10.7480 10.7480 11.8251 11.8251 11.8490 11.8490 13.1434 13.1434 13.1510 13.1510 k = 0.1875 0.5000-0.0000 ( 3842 PWs) bands (ev): -31.0277 -31.0277 -31.0277 -31.0277 -12.0889 -12.0889 -12.0881 -12.0881 -10.7494 -10.7494 -10.6971 -10.6971 -10.6190 -10.6190 -10.5663 -10.5663 3.3752 3.3752 3.3778 3.3778 7.1331 7.1331 7.1537 7.1537 8.4550 8.4550 8.4574 8.4574 8.9545 8.9545 8.9786 8.9786 9.4444 9.4444 9.4784 9.4784 10.1404 10.1404 10.1588 10.1588 10.4522 10.4522 10.4659 10.4659 10.7378 10.7378 10.7549 10.7549 11.7895 11.7895 11.8126 11.8126 13.0789 13.0789 13.0883 13.0883 k = 0.2000 0.5000-0.0000 ( 3846 PWs) bands (ev): -31.0274 -31.0274 -31.0274 -31.0274 -12.0897 -12.0897 -12.0889 -12.0889 -10.7508 -10.7508 -10.6961 -10.6961 -10.6225 -10.6225 -10.5674 -10.5674 3.3892 3.3892 3.3918 3.3918 7.1175 7.1175 7.1384 7.1384 8.4693 8.4693 8.4725 8.4725 8.9786 8.9786 9.0021 9.0021 9.4276 9.4276 9.4608 9.4608 10.1304 10.1304 10.1446 10.1446 10.4692 10.4692 10.4862 10.4862 10.7458 10.7458 10.7627 10.7627 11.7524 11.7524 11.7746 11.7746 13.0161 13.0161 13.0270 13.0270 k = 0.2125 0.5000-0.0000 ( 3858 PWs) bands (ev): -31.0272 -31.0272 -31.0272 -31.0272 -12.0906 -12.0906 -12.0898 -12.0898 -10.7520 -10.7520 -10.6953 -10.6953 -10.6259 -10.6259 -10.5687 -10.5687 3.4036 3.4036 3.4063 3.4063 7.0996 7.0996 7.1206 7.1206 8.4875 8.4875 8.4914 8.4914 9.0028 9.0028 9.0256 9.0256 9.4122 9.4122 9.4445 9.4445 10.1185 10.1185 10.1290 10.1290 10.4859 10.4859 10.5056 10.5056 10.7545 10.7545 10.7711 10.7711 11.7140 11.7140 11.7352 11.7352 12.9551 12.9551 12.9675 12.9675 k = 0.2250 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0270 -31.0270 -31.0270 -31.0270 -12.0915 -12.0915 -12.0907 -12.0907 -10.7532 -10.7532 -10.6947 -10.6947 -10.6290 -10.6290 -10.5701 -10.5701 3.4185 3.4185 3.4212 3.4212 7.0797 7.0797 7.1006 7.1006 8.5093 8.5093 8.5137 8.5137 9.0271 9.0271 9.0492 9.0492 9.3981 9.3981 9.4295 9.4295 10.1052 10.1052 10.1125 10.1125 10.5017 10.5017 10.5238 10.5238 10.7639 10.7639 10.7803 10.7803 11.6746 11.6746 11.6948 11.6948 12.8962 12.8962 12.9099 12.9099 k = 0.2375 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0268 -31.0268 -31.0268 -31.0268 -12.0924 -12.0924 -12.0916 -12.0916 -10.7542 -10.7542 -10.6945 -10.6945 -10.6318 -10.6318 -10.5716 -10.5716 3.4337 3.4337 3.4365 3.4365 7.0579 7.0579 7.0786 7.0786 8.5346 8.5346 8.5394 8.5394 9.0516 9.0516 9.0729 9.0729 9.3855 9.3855 9.4160 9.4160 10.0910 10.0910 10.0954 10.0954 10.5165 10.5165 10.5406 10.5406 10.7738 10.7738 10.7900 10.7900 11.6346 11.6346 11.6538 11.6538 12.8396 12.8396 12.8544 12.8544 k = 0.2500 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0265 -31.0265 -31.0265 -31.0265 -12.0933 -12.0933 -12.0925 -12.0925 -10.7552 -10.7552 -10.6946 -10.6946 -10.6342 -10.6342 -10.5732 -10.5732 3.4492 3.4492 3.4519 3.4519 7.0345 7.0345 7.0548 7.0548 8.5628 8.5628 8.5680 8.5680 9.0762 9.0762 9.0966 9.0966 9.3740 9.3740 9.4036 9.4036 10.0762 10.0762 10.0781 10.0781 10.5299 10.5299 10.5557 10.5557 10.7841 10.7841 10.8001 10.8001 11.5941 11.5941 11.6124 11.6124 12.7854 12.7854 12.8011 12.8011 k = 0.2625 0.5000-0.0000 ( 3854 PWs) bands (ev): -31.0263 -31.0263 -31.0263 -31.0263 -12.0943 -12.0943 -12.0934 -12.0934 -10.7560 -10.7560 -10.6952 -10.6952 -10.6362 -10.6362 -10.5749 -10.5749 3.4648 3.4648 3.4676 3.4676 7.0099 7.0099 7.0296 7.0296 8.5936 8.5936 8.5990 8.5990 9.1008 9.1008 9.1205 9.1205 9.3638 9.3638 9.3926 9.3926 10.0606 10.0606 10.0610 10.0610 10.5418 10.5418 10.5691 10.5691 10.7946 10.7946 10.8105 10.8105 11.5534 11.5534 11.5709 11.5709 12.7339 12.7339 12.7502 12.7502 k = 0.2750 0.5000-0.0000 ( 3870 PWs) bands (ev): -31.0261 -31.0261 -31.0261 -31.0261 -12.0952 -12.0952 -12.0944 -12.0944 -10.7567 -10.7567 -10.6962 -10.6962 -10.6377 -10.6377 -10.5766 -10.5766 3.4806 3.4806 3.4833 3.4833 6.9842 6.9842 7.0033 7.0033 8.6266 8.6266 8.6322 8.6322 9.1254 9.1254 9.1442 9.1442 9.3546 9.3546 9.3827 9.3827 10.0431 10.0431 10.0455 10.0455 10.5519 10.5519 10.5805 10.5805 10.8052 10.8052 10.8211 10.8211 11.5129 11.5129 11.5298 11.5298 12.6851 12.6851 12.7018 12.7018 k = 0.2875 0.5000-0.0000 ( 3870 PWs) bands (ev): -31.0258 -31.0258 -31.0258 -31.0258 -12.0961 -12.0961 -12.0953 -12.0953 -10.7573 -10.7573 -10.6976 -10.6976 -10.6387 -10.6387 -10.5785 -10.5785 3.4963 3.4963 3.4990 3.4990 6.9580 6.9580 6.9763 6.9763 8.6612 8.6612 8.6671 8.6671 9.1500 9.1500 9.1680 9.1680 9.3467 9.3467 9.3740 9.3740 10.0258 10.0258 10.0301 10.0301 10.5603 10.5603 10.5901 10.5901 10.8157 10.8157 10.8318 10.8318 11.4729 11.4729 11.4892 11.4892 12.6392 12.6392 12.6562 12.6562 k = 0.3000 0.5000-0.0000 ( 3866 PWs) bands (ev): -31.0256 -31.0256 -31.0256 -31.0256 -12.0970 -12.0970 -12.0963 -12.0963 -10.7578 -10.7578 -10.6994 -10.6994 -10.6393 -10.6393 -10.5804 -10.5804 3.5120 3.5120 3.5145 3.5145 6.9314 6.9314 6.9489 6.9489 8.6971 8.6971 8.7032 8.7032 9.1743 9.1743 9.1917 9.1917 9.3398 9.3398 9.3666 9.3666 10.0088 10.0088 10.0148 10.0148 10.5671 10.5671 10.5979 10.5979 10.8261 10.8261 10.8425 10.8425 11.4335 11.4335 11.4496 11.4496 12.5964 12.5964 12.6133 12.6133 k = 0.3125 0.5000-0.0000 ( 3866 PWs) bands (ev): -31.0254 -31.0254 -31.0254 -31.0254 -12.0979 -12.0979 -12.0972 -12.0972 -10.7582 -10.7582 -10.7017 -10.7017 -10.6394 -10.6394 -10.5824 -10.5824 3.5274 3.5274 3.5299 3.5299 6.9048 6.9048 6.9214 6.9214 8.7338 8.7338 8.7400 8.7400 9.1982 9.1982 9.2151 9.2151 9.3340 9.3340 9.3603 9.3603 9.9920 9.9920 9.9996 9.9996 10.5722 10.5722 10.6037 10.6037 10.8361 10.8361 10.8530 10.8530 11.3951 11.3951 11.4112 11.4112 12.5567 12.5567 12.5734 12.5734 k = 0.3250 0.5000-0.0000 ( 3862 PWs) bands (ev): -31.0252 -31.0252 -31.0252 -31.0252 -12.0988 -12.0988 -12.0981 -12.0981 -10.7584 -10.7584 -10.7042 -10.7042 -10.6391 -10.6391 -10.5844 -10.5844 3.5425 3.5425 3.5449 3.5449 6.8784 6.8784 6.8942 6.8942 8.7708 8.7708 8.7772 8.7772 9.2215 9.2215 9.2382 9.2382 9.3293 9.3293 9.3554 9.3554 9.9757 9.9757 9.9847 9.9847 10.5756 10.5756 10.6077 10.6077 10.8458 10.8458 10.8633 10.8633 11.3580 11.3580 11.3742 11.3742 12.5201 12.5201 12.5363 12.5363 k = 0.3375 0.5000-0.0000 ( 3870 PWs) bands (ev): -31.0250 -31.0250 -31.0250 -31.0250 -12.0997 -12.0997 -12.0990 -12.0990 -10.7584 -10.7584 -10.7070 -10.7070 -10.6384 -10.6384 -10.5865 -10.5865 3.5572 3.5572 3.5594 3.5594 6.8527 6.8527 6.8674 6.8674 8.8076 8.8076 8.8142 8.8142 9.2438 9.2438 9.2602 9.2602 9.3262 9.3262 9.3522 9.3522 9.9598 9.9598 9.9700 9.9700 10.5776 10.5776 10.6100 10.6100 10.8548 10.8548 10.8731 10.8731 11.3224 11.3224 11.3390 11.3390 12.4867 12.4867 12.5023 12.5023 k = 0.3500 0.5000-0.0000 ( 3872 PWs) bands (ev): -31.0248 -31.0248 -31.0248 -31.0248 -12.1005 -12.1005 -12.0998 -12.0998 -10.7583 -10.7583 -10.7099 -10.7099 -10.6375 -10.6375 -10.5887 -10.5887 3.5713 3.5713 3.5734 3.5734 6.8277 6.8277 6.8414 6.8414 8.8439 8.8439 8.8507 8.8507 9.2641 9.2641 9.2800 9.2800 9.3258 9.3258 9.3511 9.3511 9.9443 9.9443 9.9555 9.9555 10.5782 10.5782 10.6106 10.6106 10.8632 10.8632 10.8824 10.8824 11.2886 11.2886 11.3058 11.3058 12.4564 12.4564 12.4713 12.4713 k = 0.3625 0.5000-0.0000 ( 3876 PWs) bands (ev): -31.0246 -31.0246 -31.0246 -31.0246 -12.1012 -12.1012 -12.1006 -12.1006 -10.7581 -10.7581 -10.7130 -10.7130 -10.6363 -10.6363 -10.5908 -10.5908 3.5849 3.5849 3.5868 3.5868 6.8039 6.8039 6.8165 6.8165 8.8791 8.8791 8.8861 8.8861 9.2813 9.2813 9.2941 9.2941 9.3314 9.3314 9.3535 9.3535 9.9292 9.9292 9.9414 9.9414 10.5777 10.5777 10.6097 10.6097 10.8708 10.8708 10.8910 10.8910 11.2570 11.2570 11.2750 11.2750 12.4293 12.4293 12.4432 12.4432 k = 0.3750 0.5000-0.0000 ( 3876 PWs) bands (ev): -31.0244 -31.0244 -31.0244 -31.0244 -12.1020 -12.1020 -12.1014 -12.1014 -10.7577 -10.7577 -10.7161 -10.7161 -10.6349 -10.6349 -10.5930 -10.5930 3.5976 3.5976 3.5995 3.5995 6.7813 6.7813 6.7929 6.7929 8.9129 8.9129 8.9200 8.9200 9.2936 9.2936 9.2998 9.2998 9.3456 9.3456 9.3606 9.3606 9.9146 9.9146 9.9275 9.9275 10.5764 10.5764 10.6076 10.6076 10.8776 10.8776 10.8987 10.8987 11.2278 11.2278 11.2466 11.2466 12.4051 12.4051 12.4180 12.4180 k = 0.3875 0.5000-0.0000 ( 3876 PWs) bands (ev): -31.0243 -31.0243 -31.0243 -31.0243 -12.1026 -12.1026 -12.1021 -12.1021 -10.7571 -10.7571 -10.7193 -10.7193 -10.6334 -10.6334 -10.5952 -10.5952 3.6096 3.6096 3.6112 3.6112 6.7603 6.7603 6.7708 6.7708 8.9450 8.9450 8.9521 8.9521 9.3005 9.3005 9.3007 9.3007 9.3643 9.3643 9.3729 9.3729 9.9005 9.9005 9.9138 9.9138 10.5745 10.5745 10.6045 10.6045 10.8834 10.8834 10.9053 10.9053 11.2014 11.2014 11.2209 11.2209 12.3839 12.3839 12.3957 12.3957 k = 0.4000 0.5000-0.0000 ( 3868 PWs) bands (ev): -31.0241 -31.0241 -31.0241 -31.0241 -12.1032 -12.1032 -12.1028 -12.1028 -10.7564 -10.7564 -10.7224 -10.7224 -10.6317 -10.6317 -10.5975 -10.5975 3.6206 3.6206 3.6221 3.6221 6.7411 6.7411 6.7505 6.7505 8.9749 8.9749 8.9819 8.9819 9.3002 9.3002 9.3036 9.3036 9.3842 9.3842 9.3887 9.3887 9.8870 9.8870 9.9004 9.9004 10.5722 10.5722 10.6005 10.6005 10.8884 10.8884 10.9107 10.9107 11.1782 11.1782 11.1981 11.1981 12.3654 12.3654 12.3760 12.3760 k = 0.4125 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0240 -31.0240 -31.0240 -31.0240 -12.1037 -12.1037 -12.1033 -12.1033 -10.7555 -10.7555 -10.7255 -10.7255 -10.6299 -10.6299 -10.5997 -10.5997 3.6306 3.6306 3.6319 3.6319 6.7237 6.7237 6.7320 6.7320 9.0023 9.0023 9.0092 9.0092 9.2993 9.2993 9.3044 9.3044 9.4039 9.4039 9.4058 9.4058 9.8742 9.8742 9.8874 9.8874 10.5699 10.5699 10.5961 10.5961 10.8923 10.8923 10.9145 10.9145 11.1583 11.1583 11.1782 11.1782 12.3497 12.3497 12.3591 12.3591 k = 0.4250 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0239 -31.0239 -31.0239 -31.0239 -12.1042 -12.1042 -12.1039 -12.1039 -10.7544 -10.7544 -10.7286 -10.7286 -10.6280 -10.6280 -10.6019 -10.6019 3.6394 3.6394 3.6405 3.6405 6.7084 6.7084 6.7155 6.7155 9.0269 9.0269 9.0334 9.0334 9.2983 9.2983 9.3041 9.3041 9.4226 9.4226 9.4230 9.4230 9.8622 9.8622 9.8748 9.8748 10.5677 10.5677 10.5913 10.5913 10.8954 10.8954 10.9167 10.9167 11.1420 11.1420 11.1612 11.1612 12.3365 12.3365 12.3445 12.3445 k = 0.4375 0.5000-0.0000 ( 3860 PWs) bands (ev): -31.0238 -31.0238 -31.0238 -31.0238 -12.1046 -12.1046 -12.1043 -12.1043 -10.7531 -10.7531 -10.7315 -10.7315 -10.6260 -10.6260 -10.6042 -10.6042 3.6470 3.6470 3.6480 3.6480 6.6953 6.6953 6.7013 6.7013 9.0484 9.0484 9.0544 9.0544 9.2975 9.2975 9.3032 9.3032 9.4393 9.4393 9.4398 9.4398 9.8512 9.8512 9.8628 9.8628 10.5660 10.5660 10.5864 10.5864 10.8977 10.8977 10.9173 10.9173 11.1292 11.1292 11.1470 11.1470 12.3255 12.3255 12.3323 12.3323 k = 0.4500 0.5000-0.0000 ( 3852 PWs) bands (ev): -31.0237 -31.0237 -31.0237 -31.0237 -12.1050 -12.1050 -12.1047 -12.1047 -10.7517 -10.7517 -10.7343 -10.7343 -10.6240 -10.6240 -10.6065 -10.6065 3.6534 3.6534 3.6542 3.6542 6.6846 6.6846 6.6893 6.6893 9.0666 9.0666 9.0718 9.0718 9.2969 9.2969 9.3021 9.3021 9.4540 9.4540 9.4550 9.4550 9.8417 9.8417 9.8518 9.8518 10.5648 10.5648 10.5817 10.5817 10.8995 10.8995 10.9165 10.9165 11.1200 11.1200 11.1355 11.1355 12.3170 12.3170 12.3224 12.3224 k = 0.4625 0.5000-0.0000 ( 3860 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1052 -12.1052 -12.1050 -12.1050 -10.7501 -10.7501 -10.7371 -10.7371 -10.6219 -10.6219 -10.6087 -10.6087 3.6585 3.6585 3.6590 3.6590 6.6762 6.6762 6.6798 6.6798 9.0812 9.0812 9.0854 9.0854 9.2966 9.2966 9.3009 9.3009 9.4664 9.4664 9.4676 9.4676 9.8339 9.8339 9.8421 9.8421 10.5643 10.5643 10.5773 10.5773 10.9010 10.9010 10.9146 10.9146 11.1140 11.1140 11.1263 11.1263 12.3105 12.3105 12.3146 12.3146 k = 0.4750 0.5000-0.0000 ( 3860 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1054 -12.1054 -12.1053 -12.1053 -10.7484 -10.7484 -10.7396 -10.7396 -10.6198 -10.6198 -10.6110 -10.6110 3.6621 3.6621 3.6625 3.6625 6.6704 6.6704 6.6728 6.6728 9.0921 9.0921 9.0950 9.0950 9.2966 9.2966 9.2996 9.2996 9.4760 9.4760 9.4770 9.4770 9.8284 9.8284 9.8342 9.8342 10.5645 10.5645 10.5734 10.5734 10.9026 10.9026 10.9120 10.9120 11.1107 11.1107 11.1193 11.1193 12.3062 12.3062 12.3090 12.3090 k = 0.4875 0.5000-0.0000 ( 3860 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1055 -12.1055 -12.1054 -12.1054 -10.7464 -10.7464 -10.7420 -10.7420 -10.6176 -10.6176 -10.6132 -10.6132 3.6644 3.6644 3.6646 3.6646 6.6671 6.6671 6.6683 6.6683 9.0990 9.0990 9.1005 9.1005 9.2969 9.2969 9.2985 9.2985 9.4822 9.4822 9.4828 9.4828 9.8255 9.8255 9.8285 9.8285 10.5656 10.5656 10.5701 10.5701 10.9045 10.9045 10.9094 10.9094 11.1099 11.1099 11.1143 11.1143 12.3039 12.3039 12.3053 12.3053 k = 0.5000 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7443 -10.7443 -10.7443 -10.7443 -10.6154 -10.6154 -10.6154 -10.6154 3.6652 3.6652 3.6652 3.6652 6.6664 6.6664 6.6664 6.6664 9.1018 9.1018 9.1018 9.1018 9.2975 9.2975 9.2975 9.2975 9.4845 9.4845 9.4845 9.4845 9.8256 9.8256 9.8256 9.8256 10.5675 10.5675 10.5675 10.5675 10.9068 10.9068 10.9068 10.9068 11.1111 11.1111 11.1111 11.1111 12.3036 12.3036 12.3036 12.3036 k = 0.5000 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7443 -10.7443 -10.7443 -10.7443 -10.6154 -10.6154 -10.6154 -10.6154 3.6652 3.6652 3.6652 3.6652 6.6664 6.6664 6.6664 6.6664 9.1018 9.1018 9.1018 9.1018 9.2975 9.2975 9.2975 9.2975 9.4845 9.4845 9.4845 9.4845 9.8256 9.8256 9.8256 9.8256 10.5675 10.5675 10.5675 10.5675 10.9068 10.9068 10.9068 10.9068 11.1111 11.1111 11.1111 11.1111 12.3036 12.3036 12.3036 12.3036 k = 0.4911 0.4911-0.0000 ( 3862 PWs) bands (ev): -31.0236 -31.0236 -31.0235 -31.0235 -12.1055 -12.1055 -12.1054 -12.1054 -10.7464 -10.7464 -10.7420 -10.7420 -10.6176 -10.6176 -10.6132 -10.6132 3.6632 3.6632 3.6657 3.6657 6.6671 6.6671 6.6683 6.6683 9.0981 9.0981 9.1014 9.1014 9.2949 9.2949 9.3004 9.3004 9.4819 9.4819 9.4831 9.4831 9.8251 9.8251 9.8290 9.8290 10.5653 10.5653 10.5704 10.5704 10.9040 10.9040 10.9099 10.9099 11.1097 11.1097 11.1144 11.1144 12.3033 12.3033 12.3058 12.3058 k = 0.4821 0.4821-0.0000 ( 3860 PWs) bands (ev): -31.0236 -31.0236 -31.0235 -31.0235 -12.1055 -12.1055 -12.1051 -12.1051 -10.7484 -10.7484 -10.7396 -10.7396 -10.6198 -10.6198 -10.6109 -10.6109 3.6573 3.6573 3.6672 3.6672 6.6705 6.6705 6.6729 6.6729 9.0881 9.0881 9.0994 9.0994 9.2874 9.2874 9.3079 9.3079 9.4746 9.4746 9.4785 9.4785 9.8258 9.8258 9.8368 9.8368 10.5627 10.5627 10.5754 10.5754 10.8994 10.8994 10.9156 10.9156 11.1095 11.1095 11.1203 11.1203 12.3033 12.3033 12.3120 12.3120 k = 0.4732 0.4732-0.0000 ( 3864 PWs) bands (ev): -31.0238 -31.0238 -31.0235 -31.0235 -12.1055 -12.1055 -12.1047 -12.1047 -10.7502 -10.7502 -10.7370 -10.7370 -10.6220 -10.6220 -10.6086 -10.6086 3.6474 3.6474 3.6697 3.6697 6.6765 6.6765 6.6801 6.6801 9.0729 9.0729 9.0961 9.0961 9.2743 9.2743 9.3187 9.3187 9.4638 9.4638 9.4711 9.4711 9.8272 9.8272 9.8488 9.8488 10.5592 10.5592 10.5831 10.5831 10.8927 10.8927 10.9244 10.9244 11.1100 11.1100 11.1287 11.1287 12.3031 12.3031 12.3221 12.3221 k = 0.4643 0.4643-0.0000 ( 3864 PWs) bands (ev): -31.0239 -31.0239 -31.0235 -31.0235 -12.1056 -12.1056 -12.1041 -12.1041 -10.7518 -10.7518 -10.7342 -10.7342 -10.6241 -10.6241 -10.6063 -10.6063 3.6337 3.6337 3.6732 3.6732 6.6851 6.6851 6.6900 6.6900 9.0541 9.0541 9.0915 9.0915 9.2555 9.2555 9.3311 9.3311 9.4510 9.4510 9.4615 9.4615 9.8292 9.8292 9.8639 9.8639 10.5550 10.5550 10.5938 10.5938 10.8842 10.8842 10.9361 10.9361 11.1112 11.1112 11.1394 11.1394 12.3029 12.3029 12.3364 12.3364 k = 0.4554 0.4554-0.0000 ( 3868 PWs) bands (ev): -31.0241 -31.0241 -31.0234 -31.0234 -12.1056 -12.1056 -12.1033 -12.1033 -10.7532 -10.7532 -10.7313 -10.7313 -10.6262 -10.6262 -10.6040 -10.6040 3.6162 3.6162 3.6775 3.6775 6.6964 6.6964 6.7025 6.7025 9.0327 9.0327 9.0856 9.0856 9.2306 9.2306 9.3429 9.3429 9.4377 9.4377 9.4507 9.4507 9.8316 9.8316 9.8812 9.8812 10.5504 10.5504 10.6072 10.6072 10.8744 10.8744 10.9503 10.9503 11.1130 11.1130 11.1520 11.1520 12.3026 12.3026 12.3545 12.3545 k = 0.4464 0.4464-0.0000 ( 3872 PWs) bands (ev): -31.0244 -31.0244 -31.0234 -31.0234 -12.1057 -12.1057 -12.1023 -12.1023 -10.7544 -10.7544 -10.7283 -10.7283 -10.6283 -10.6283 -10.6017 -10.6017 3.5949 3.5949 3.6827 3.6827 6.7102 6.7102 6.7176 6.7176 9.0097 9.0097 9.0783 9.0783 9.1996 9.1996 9.3511 9.3511 9.4248 9.4248 9.4414 9.4414 9.8346 9.8346 9.8999 9.8999 10.5457 10.5457 10.6234 10.6234 10.8638 10.8638 10.9666 10.9666 11.1156 11.1156 11.1660 11.1660 12.3023 12.3023 12.3765 12.3765 k = 0.4375 0.4375-0.0000 ( 3880 PWs) bands (ev): -31.0247 -31.0247 -31.0233 -31.0233 -12.1057 -12.1057 -12.1012 -12.1012 -10.7555 -10.7555 -10.7252 -10.7252 -10.6303 -10.6303 -10.5994 -10.5994 3.5701 3.5701 3.6887 3.6887 6.7265 6.7265 6.7353 6.7353 8.9855 8.9855 9.0698 9.0698 9.1629 9.1629 9.3509 9.3509 9.4127 9.4127 9.4382 9.4382 9.8380 9.8380 9.9193 9.9193 10.5413 10.5413 10.6422 10.6422 10.8528 10.8528 10.9845 10.9845 11.1190 11.1190 11.1811 11.1811 12.3018 12.3018 12.4024 12.4024 k = 0.4286 0.4286-0.0000 ( 3872 PWs) bands (ev): -31.0251 -31.0251 -31.0232 -31.0232 -12.1058 -12.1058 -12.0999 -12.0999 -10.7563 -10.7563 -10.7219 -10.7219 -10.6323 -10.6323 -10.5970 -10.5970 3.5418 3.5418 3.6952 3.6952 6.7454 6.7454 6.7556 6.7556 8.9609 8.9609 9.0596 9.0596 9.1213 9.1213 9.3396 9.3396 9.4014 9.4014 9.4442 9.4442 9.8420 9.8420 9.9390 9.9390 10.5377 10.5377 10.6635 10.6635 10.8417 10.8417 11.0038 11.0038 11.1236 11.1236 11.1971 11.1971 12.3013 12.3013 12.4321 12.4321 k = 0.4196 0.4196-0.0000 ( 3872 PWs) bands (ev): -31.0255 -31.0255 -31.0231 -31.0231 -12.1059 -12.1059 -12.0984 -12.0984 -10.7569 -10.7569 -10.7186 -10.7186 -10.6343 -10.6343 -10.5946 -10.5946 3.5101 3.5101 3.7024 3.7024 6.7668 6.7668 6.7784 6.7784 8.9359 8.9359 9.0460 9.0460 9.0772 9.0772 9.3194 9.3194 9.3910 9.3910 9.4570 9.4570 9.8463 9.8463 9.9585 9.9585 10.5348 10.5348 10.6868 10.6868 10.8307 10.8307 11.0240 11.0240 11.1294 11.1294 11.2137 11.2137 12.3007 12.3007 12.4654 12.4654 k = 0.4107 0.4107-0.0000 ( 3884 PWs) bands (ev): -31.0259 -31.0259 -31.0230 -31.0230 -12.1060 -12.1060 -12.0968 -12.0968 -10.7574 -10.7574 -10.7152 -10.7152 -10.6362 -10.6362 -10.5923 -10.5923 3.4752 3.4752 3.7100 3.7100 6.7905 6.7905 6.8038 6.8038 8.9109 8.9109 9.0144 9.0144 9.0457 9.0457 9.2937 9.2937 9.3815 9.3815 9.4737 9.4737 9.8511 9.8511 9.9776 9.9776 10.5330 10.5330 10.7121 10.7121 10.8199 10.8199 11.0446 11.0446 11.1367 11.1367 11.2308 11.2308 12.3000 12.3000 12.5023 12.5023 k = 0.4018 0.4018-0.0000 ( 3880 PWs) bands (ev): -31.0264 -31.0264 -31.0229 -31.0229 -12.1060 -12.1060 -12.0951 -12.0951 -10.7576 -10.7576 -10.7117 -10.7117 -10.6380 -10.6380 -10.5899 -10.5899 3.4373 3.4373 3.7179 3.7179 6.8166 6.8166 6.8316 6.8316 8.8860 8.8860 8.9626 8.9626 9.0299 9.0299 9.2646 9.2646 9.3728 9.3728 9.4927 9.4927 9.8564 9.8564 9.9961 9.9961 10.5323 10.5323 10.7390 10.7390 10.8095 10.8095 11.0656 11.0656 11.1457 11.1457 11.2484 11.2484 12.2992 12.2992 12.5427 12.5427 k = 0.3929 0.3929-0.0000 ( 3874 PWs) bands (ev): -31.0269 -31.0269 -31.0228 -31.0228 -12.1061 -12.1061 -12.0931 -12.0931 -10.7577 -10.7577 -10.7081 -10.7081 -10.6397 -10.6397 -10.5876 -10.5876 3.3965 3.3965 3.7260 3.7260 6.8450 6.8450 6.8619 6.8619 8.8613 8.8613 8.9052 8.9052 9.0157 9.0157 9.2333 9.2333 9.3649 9.3649 9.5131 9.5131 9.8620 9.8620 10.0139 10.0139 10.5330 10.5330 10.7669 10.7669 10.8001 10.8001 11.0865 11.0865 11.1566 11.1566 11.2662 11.2662 12.2984 12.2984 12.5866 12.5866 k = 0.3839 0.3839-0.0000 ( 3870 PWs) bands (ev): -31.0274 -31.0274 -31.0227 -31.0227 -12.1062 -12.1062 -12.0910 -12.0910 -10.7575 -10.7575 -10.7045 -10.7045 -10.6414 -10.6414 -10.5852 -10.5852 3.3531 3.3531 3.7341 3.7341 6.8756 6.8756 6.8947 6.8947 8.8344 8.8344 8.8471 8.8471 9.0012 9.0012 9.2007 9.2007 9.3577 9.3577 9.5347 9.5347 9.8680 9.8680 10.0308 10.0308 10.5351 10.5351 10.7867 10.7867 10.8003 10.8003 11.1073 11.1073 11.1695 11.1695 11.2844 11.2844 12.2973 12.2973 12.6336 12.6336 k = 0.3750 0.3750-0.0000 ( 3862 PWs) bands (ev): -31.0280 -31.0280 -31.0226 -31.0226 -12.1063 -12.1063 -12.0888 -12.0888 -10.7572 -10.7572 -10.7009 -10.7009 -10.6429 -10.6429 -10.5829 -10.5829 3.3072 3.3072 3.7421 3.7421 6.9082 6.9082 6.9298 6.9298 8.7786 8.7786 8.8155 8.8155 8.9861 8.9861 9.1675 9.1675 9.3511 9.3511 9.5573 9.5573 9.8745 9.8745 10.0469 10.0469 10.5387 10.5387 10.7802 10.7802 10.8283 10.8283 11.1276 11.1276 11.1845 11.1845 11.3028 11.3028 12.2961 12.2961 12.6837 12.6837 k = 0.3661 0.3661-0.0000 ( 3860 PWs) bands (ev): -31.0287 -31.0287 -31.0224 -31.0224 -12.1064 -12.1064 -12.0864 -12.0864 -10.7566 -10.7566 -10.6973 -10.6973 -10.6443 -10.6443 -10.5806 -10.5806 3.2590 3.2590 3.7498 3.7498 6.9429 6.9429 6.9672 6.9672 8.7130 8.7130 8.7917 8.7917 8.9704 8.9704 9.1345 9.1345 9.3452 9.3452 9.5810 9.5810 9.8813 9.8813 10.0621 10.0621 10.5437 10.5437 10.7723 10.7723 10.8586 10.8586 11.1477 11.1477 11.2014 11.2014 11.3214 11.3214 12.2948 12.2948 12.7367 12.7367 k = 0.3571 0.3571-0.0000 ( 3860 PWs) bands (ev): -31.0293 -31.0293 -31.0223 -31.0223 -12.1065 -12.1065 -12.0840 -12.0840 -10.7559 -10.7559 -10.6938 -10.6938 -10.6455 -10.6455 -10.5783 -10.5783 3.2087 3.2087 3.7571 3.7571 6.9795 6.9795 7.0069 7.0069 8.6452 8.6452 8.7685 8.7685 8.9542 8.9542 9.1024 9.1024 9.3399 9.3399 9.6057 9.6057 9.8885 9.8885 10.0766 10.0766 10.5502 10.5502 10.7649 10.7649 10.8893 10.8893 11.1677 11.1677 11.2200 11.2200 11.3403 11.3403 12.2933 12.2933 12.7924 12.7924 k = 0.3482 0.3482-0.0000 ( 3856 PWs) bands (ev): -31.0300 -31.0300 -31.0221 -31.0221 -12.1066 -12.1066 -12.0813 -12.0813 -10.7550 -10.7550 -10.6904 -10.6904 -10.6465 -10.6465 -10.5760 -10.5760 3.1565 3.1565 3.7639 3.7639 7.0178 7.0178 7.0489 7.0489 8.5757 8.5757 8.7451 8.7451 8.9375 8.9375 9.0721 9.0721 9.3352 9.3352 9.6315 9.6315 9.8960 9.8960 10.0904 10.0904 10.5582 10.5582 10.7581 10.7581 10.9198 10.9198 11.1880 11.1880 11.2400 11.2400 11.3594 11.3594 12.2916 12.2916 12.8507 12.8507 k = 0.3393 0.3393-0.0000 ( 3852 PWs) bands (ev): -31.0307 -31.0307 -31.0220 -31.0220 -12.1067 -12.1067 -12.0786 -12.0786 -10.7538 -10.7538 -10.6872 -10.6872 -10.6471 -10.6471 -10.5738 -10.5738 3.1026 3.1026 3.7700 3.7700 7.0577 7.0577 7.0930 7.0930 8.5049 8.5049 8.7213 8.7213 8.9205 8.9205 9.0443 9.0443 9.3310 9.3310 9.6584 9.6584 9.9039 9.9039 10.1037 10.1037 10.5675 10.5675 10.7518 10.7518 10.9500 10.9500 11.2086 11.2086 11.2610 11.2610 11.3788 11.3788 12.2897 12.2897 12.9114 12.9114 k = 0.3304 0.3304-0.0000 ( 3846 PWs) bands (ev): -31.0314 -31.0314 -31.0218 -31.0218 -12.1067 -12.1067 -12.0757 -12.0757 -10.7526 -10.7526 -10.6844 -10.6844 -10.6473 -10.6473 -10.5716 -10.5716 3.0473 3.0473 3.7752 3.7752 7.0992 7.0992 7.1392 7.1392 8.4331 8.4331 8.6967 8.6967 8.9031 8.9031 9.0199 9.0199 9.3272 9.3272 9.6865 9.6865 9.9123 9.9123 10.1166 10.1166 10.5782 10.5782 10.7462 10.7462 10.9795 10.9795 11.2298 11.2298 11.2829 11.2829 11.3985 11.3985 12.2875 12.2875 12.9740 12.9740 k = 0.3214 0.3214-0.0000 ( 3846 PWs) bands (ev): -31.0322 -31.0322 -31.0217 -31.0217 -12.1068 -12.1068 -12.0728 -12.0728 -10.7511 -10.7511 -10.6820 -10.6820 -10.6470 -10.6470 -10.5694 -10.5694 2.9907 2.9907 3.7794 3.7794 7.1420 7.1420 7.1875 7.1875 8.3607 8.3607 8.6708 8.6708 8.8856 8.8856 8.9996 8.9996 9.3237 9.3237 9.7159 9.7159 9.9209 9.9209 10.1293 10.1293 10.5903 10.5903 10.7412 10.7412 11.0080 11.0080 11.2515 11.2515 11.3057 11.3057 11.4185 11.4185 12.2851 12.2851 13.0383 13.0383 k = 0.3125 0.3125-0.0000 ( 3844 PWs) bands (ev): -31.0330 -31.0330 -31.0215 -31.0215 -12.1069 -12.1069 -12.0697 -12.0697 -10.7495 -10.7495 -10.6801 -10.6801 -10.6461 -10.6461 -10.5673 -10.5673 2.9331 2.9331 3.7826 3.7826 7.1860 7.1860 7.2377 7.2377 8.2878 8.2878 8.6435 8.6435 8.8678 8.8678 8.9841 8.9841 9.3203 9.3203 9.7465 9.7465 9.9299 9.9299 10.1420 10.1420 10.6035 10.6035 10.7368 10.7368 11.0354 11.0354 11.2734 11.2734 11.3296 11.3296 11.4388 11.4388 12.2824 12.2824 13.1039 13.1039 k = 0.3036 0.3036-0.0000 ( 3846 PWs) bands (ev): -31.0338 -31.0338 -31.0213 -31.0213 -12.1070 -12.1070 -12.0666 -12.0666 -10.7477 -10.7477 -10.6788 -10.6788 -10.6445 -10.6445 -10.5652 -10.5652 2.8746 2.8746 3.7845 3.7845 7.2311 7.2311 7.2897 7.2897 8.2148 8.2148 8.6147 8.6147 8.8499 8.8499 8.9734 8.9734 9.3171 9.3171 9.7785 9.7785 9.9392 9.9392 10.1550 10.1550 10.6178 10.6178 10.7329 10.7329 11.0615 11.0615 11.2954 11.2954 11.3549 11.3549 11.4595 11.4595 12.2793 12.2793 13.1705 13.1705 k = 0.2946 0.2946-0.0000 ( 3840 PWs) bands (ev): -31.0346 -31.0346 -31.0211 -31.0211 -12.1071 -12.1071 -12.0634 -12.0634 -10.7458 -10.7458 -10.6781 -10.6781 -10.6422 -10.6422 -10.5632 -10.5632 2.8155 2.8155 3.7852 3.7852 7.2770 7.2770 7.3435 7.3435 8.1420 8.1420 8.5846 8.5846 8.8321 8.8321 8.9677 8.9677 9.3139 9.3139 9.8119 9.8119 9.9489 9.9489 10.1684 10.1684 10.6332 10.6332 10.7296 10.7296 11.0862 11.0862 11.3171 11.3171 11.3819 11.3819 11.4806 11.4806 12.2759 12.2759 13.2374 13.2374 k = 0.2857 0.2857-0.0000 ( 3836 PWs) bands (ev): -31.0355 -31.0355 -31.0210 -31.0210 -12.1072 -12.1072 -12.0601 -12.0601 -10.7438 -10.7438 -10.6779 -10.6779 -10.6393 -10.6393 -10.5613 -10.5613 2.7559 2.7559 3.7846 3.7846 7.3235 7.3235 7.3991 7.3991 8.0697 8.0697 8.5532 8.5532 8.8143 8.8143 8.9671 8.9671 9.3104 9.3104 9.8468 9.8468 9.9589 9.9589 10.1824 10.1824 10.6494 10.6494 10.7271 10.7271 11.1093 11.1093 11.3382 11.3382 11.4110 11.4110 11.5022 11.5022 12.2722 12.2722 13.3042 13.3042 k = 0.2768 0.2768-0.0000 ( 3836 PWs) bands (ev): -31.0363 -31.0363 -31.0208 -31.0208 -12.1072 -12.1072 -12.0568 -12.0568 -10.7416 -10.7416 -10.6781 -10.6781 -10.6360 -10.6360 -10.5594 -10.5594 2.6961 2.6961 3.7826 3.7826 7.3703 7.3703 7.4562 7.4562 7.9982 7.9982 8.5211 8.5211 8.7966 8.7966 8.9711 8.9711 9.3067 9.3067 9.8831 9.8831 9.9692 9.9692 10.1971 10.1971 10.6659 10.6659 10.7255 10.7255 11.1309 11.1309 11.3586 11.3586 11.4424 11.4424 11.5244 11.5244 12.2680 12.2680 13.3701 13.3701 k = 0.2679 0.2679-0.0000 ( 3836 PWs) bands (ev): -31.0371 -31.0371 -31.0206 -31.0206 -12.1073 -12.1073 -12.0534 -12.0534 -10.7393 -10.7393 -10.6786 -10.6786 -10.6323 -10.6323 -10.5576 -10.5576 2.6362 2.6362 3.7791 3.7791 7.4170 7.4170 7.5147 7.5147 7.9281 7.9281 8.4885 8.4885 8.7791 8.7791 8.9795 8.9795 9.3025 9.3025 9.9209 9.9209 9.9798 9.9798 10.2125 10.2125 10.6819 10.6819 10.7259 10.7259 11.1507 11.1507 11.3782 11.3782 11.4763 11.4763 11.5471 11.5471 12.2634 12.2634 13.4343 13.4343 k = 0.2589 0.2589-0.0000 ( 3834 PWs) bands (ev): -31.0380 -31.0380 -31.0204 -31.0204 -12.1073 -12.1073 -12.0500 -12.0500 -10.7370 -10.7370 -10.6793 -10.6793 -10.6283 -10.6283 -10.5559 -10.5559 2.5764 2.5764 3.7743 3.7743 7.4629 7.4629 7.5746 7.5746 7.8601 7.8601 8.4558 8.4558 8.7619 8.7619 8.9919 8.9919 9.2978 9.2978 9.9599 9.9599 9.9908 9.9908 10.2288 10.2288 10.6946 10.6946 10.7305 10.7305 11.1690 11.1690 11.3971 11.3971 11.5126 11.5126 11.5706 11.5706 12.2584 12.2584 13.4961 13.4961 k = 0.2500 0.2500-0.0000 ( 3846 PWs) bands (ev): -31.0389 -31.0389 -31.0202 -31.0202 -12.1074 -12.1074 -12.0466 -12.0466 -10.7345 -10.7345 -10.6801 -10.6801 -10.6241 -10.6241 -10.5542 -10.5542 2.5169 2.5169 3.7680 3.7680 7.5062 7.5062 7.6356 7.6356 7.7961 7.7961 8.4232 8.4232 8.7449 8.7449 9.0080 9.0080 9.2925 9.2925 9.9959 9.9959 10.0066 10.0066 10.2458 10.2458 10.7013 10.7013 10.7422 10.7422 11.1856 11.1856 11.4153 11.4153 11.5511 11.5511 11.5955 11.5955 12.2528 12.2528 13.5545 13.5545 k = 0.2411 0.2411-0.0000 ( 3837 PWs) bands (ev): -31.0397 -31.0397 -31.0200 -31.0200 -12.1074 -12.1074 -12.0431 -12.0431 -10.7320 -10.7320 -10.6810 -10.6810 -10.6198 -10.6198 -10.5527 -10.5527 2.4579 2.4579 3.7604 3.7604 7.5423 7.5423 7.6962 7.6962 7.7422 7.7422 8.3911 8.3911 8.7284 8.7284 9.0275 9.0275 9.2866 9.2866 10.0104 10.0104 10.0455 10.0455 10.2636 10.2636 10.7036 10.7036 10.7596 10.7596 11.2008 11.2008 11.4330 11.4330 11.5903 11.5903 11.6232 11.6232 12.2467 12.2467 13.6042 13.6042 k = 0.2321 0.2321-0.0000 ( 3847 PWs) bands (ev): -31.0406 -31.0406 -31.0199 -31.0199 -12.1074 -12.1074 -12.0396 -12.0396 -10.7295 -10.7295 -10.6819 -10.6819 -10.6154 -10.6154 -10.5512 -10.5512 2.3996 2.3996 3.7515 3.7515 7.5566 7.5566 7.7054 7.7054 7.7640 7.7640 8.3595 8.3595 8.7121 8.7121 9.0498 9.0498 9.2801 9.2801 10.0211 10.0211 10.0892 10.0892 10.2821 10.2821 10.7041 10.7041 10.7797 10.7797 11.2147 11.2147 11.4501 11.4501 11.6260 11.6260 11.6581 11.6581 12.2399 12.2399 13.5760 13.5760 k = 0.2232 0.2232-0.0000 ( 3847 PWs) bands (ev): -31.0414 -31.0414 -31.0197 -31.0197 -12.1075 -12.1075 -12.0362 -12.0362 -10.7270 -10.7270 -10.6828 -10.6828 -10.6109 -10.6109 -10.5498 -10.5498 2.3420 2.3420 3.7414 3.7414 7.5314 7.5314 7.7146 7.7146 7.8274 7.8274 8.3287 8.3287 8.6963 8.6963 9.0747 9.0747 9.2729 9.2729 10.0312 10.0312 10.1347 10.1347 10.3011 10.3011 10.7043 10.7043 10.8012 10.8012 11.2273 11.2273 11.4668 11.4668 11.6557 11.6557 11.7031 11.7031 12.2326 12.2326 13.5430 13.5430 k = 0.2143 0.2143-0.0000 ( 3847 PWs) bands (ev): -31.0423 -31.0423 -31.0195 -31.0195 -12.1075 -12.1075 -12.0327 -12.0327 -10.7244 -10.7244 -10.6836 -10.6836 -10.6064 -10.6064 -10.5485 -10.5485 2.2854 2.2854 3.7302 3.7302 7.4823 7.4823 7.7485 7.7485 7.8924 7.8924 8.2988 8.2988 8.6810 8.6810 9.1018 9.1018 9.2651 9.2651 10.0406 10.0406 10.1813 10.1813 10.3207 10.3207 10.7048 10.7048 10.8235 10.8235 11.2389 11.2389 11.4832 11.4832 11.6825 11.6825 11.7549 11.7549 12.2246 12.2246 13.5093 13.5093 k = 0.2054 0.2054-0.0000 ( 3835 PWs) bands (ev): -31.0431 -31.0431 -31.0193 -31.0193 -12.1075 -12.1075 -12.0293 -12.0293 -10.7220 -10.7220 -10.6843 -10.6843 -10.6019 -10.6019 -10.5473 -10.5473 2.2300 2.2300 3.7180 3.7180 7.4261 7.4261 7.7905 7.7905 7.9582 7.9582 8.2699 8.2699 8.6662 8.6662 9.1305 9.1305 9.2569 9.2569 10.0490 10.0490 10.2287 10.2287 10.3410 10.3410 10.7059 10.7059 10.8466 10.8466 11.2498 11.2498 11.4993 11.4993 11.7085 11.7085 11.8118 11.8118 12.2159 12.2159 13.4750 13.4750 k = 0.1964 0.1964-0.0000 ( 3831 PWs) bands (ev): -31.0439 -31.0439 -31.0191 -31.0191 -12.1075 -12.1075 -12.0259 -12.0259 -10.7196 -10.7196 -10.6849 -10.6849 -10.5974 -10.5974 -10.5462 -10.5462 2.1758 2.1758 3.7049 3.7049 7.3687 7.3687 7.8353 7.8353 8.0246 8.0246 8.2421 8.2421 8.6520 8.6520 9.1603 9.1603 9.2486 9.2486 10.0562 10.0562 10.2758 10.2758 10.3624 10.3624 10.7080 10.7080 10.8699 10.8699 11.2600 11.2600 11.5152 11.5152 11.7342 11.7342 11.8731 11.8731 12.2067 12.2067 13.4403 13.4403 k = 0.1875 0.1875-0.0000 ( 3843 PWs) bands (ev): -31.0447 -31.0447 -31.0190 -31.0190 -12.1075 -12.1075 -12.0225 -12.0225 -10.7174 -10.7174 -10.6854 -10.6854 -10.5930 -10.5930 -10.5452 -10.5452 2.1230 2.1230 3.6910 3.6910 7.3117 7.3117 7.8808 7.8808 8.0915 8.0915 8.2155 8.2155 8.6381 8.6381 9.1897 9.1897 9.2411 9.2411 10.0618 10.0618 10.3204 10.3204 10.3868 10.3868 10.7112 10.7112 10.8933 10.8933 11.2698 11.2698 11.5308 11.5308 11.7599 11.7599 11.9388 11.9388 12.1967 12.1967 13.4055 13.4055 k = 0.1786 0.1786-0.0000 ( 3835 PWs) bands (ev): -31.0455 -31.0455 -31.0188 -31.0188 -12.1074 -12.1074 -12.0193 -12.0193 -10.7153 -10.7153 -10.6856 -10.6856 -10.5886 -10.5886 -10.5443 -10.5443 2.0717 2.0717 3.6765 3.6765 7.2562 7.2562 7.9263 7.9263 8.1587 8.1587 8.1900 8.1900 8.6249 8.6249 9.2108 9.2108 9.2424 9.2424 10.0653 10.0653 10.3580 10.3580 10.4182 10.4182 10.7160 10.7160 10.9170 10.9170 11.2795 11.2795 11.5463 11.5463 11.7855 11.7855 12.0082 12.0082 12.1867 12.1867 13.3713 13.3713 k = 0.1696 0.1696-0.0000 ( 3847 PWs) bands (ev): -31.0463 -31.0463 -31.0187 -31.0187 -12.1074 -12.1074 -12.0161 -12.0161 -10.7135 -10.7135 -10.6856 -10.6856 -10.5843 -10.5843 -10.5434 -10.5434 2.0221 2.0221 3.6615 3.6615 7.2023 7.2023 7.9713 7.9713 8.1657 8.1657 8.2261 8.2261 8.6123 8.6123 9.2099 9.2099 9.2657 9.2657 10.0665 10.0665 10.3853 10.3853 10.4591 10.4591 10.7225 10.7225 10.9405 10.9405 11.2891 11.2891 11.5616 11.5616 11.8108 11.8108 12.0795 12.0795 12.1784 12.1784 13.3381 13.3381 k = 0.1607 0.1607-0.0000 ( 3843 PWs) bands (ev): -31.0470 -31.0470 -31.0185 -31.0185 -12.1074 -12.1074 -12.0129 -12.0129 -10.7120 -10.7120 -10.6852 -10.6852 -10.5801 -10.5801 -10.5427 -10.5427 1.9743 1.9743 3.6463 3.6463 7.1505 7.1505 8.0156 8.0156 8.1427 8.1427 8.2935 8.2935 8.6003 8.6003 9.2011 9.2011 9.2969 9.2969 10.0652 10.0652 10.4057 10.4057 10.5058 10.5058 10.7310 10.7310 10.9640 10.9640 11.2989 11.2989 11.5768 11.5768 11.8361 11.8361 12.1341 12.1341 12.1905 12.1905 13.3070 13.3070 k = 0.1518 0.1518-0.0000 ( 3831 PWs) bands (ev): -31.0478 -31.0478 -31.0183 -31.0183 -12.1073 -12.1073 -12.0099 -12.0099 -10.7108 -10.7108 -10.6845 -10.6845 -10.5760 -10.5760 -10.5420 -10.5420 1.9284 1.9284 3.6308 3.6308 7.1009 7.1009 8.0590 8.0590 8.1211 8.1211 8.3608 8.3608 8.5889 8.5889 9.1907 9.1907 9.3292 9.3292 10.0609 10.0609 10.4223 10.4223 10.5545 10.5545 10.7417 10.7417 10.9872 10.9872 11.3089 11.3089 11.5918 11.5918 11.8609 11.8609 12.1363 12.1363 12.2586 12.2586 13.2786 13.2786 k = 0.1429 0.1429-0.0000 ( 3829 PWs) bands (ev): -31.0484 -31.0484 -31.0182 -31.0182 -12.1073 -12.1073 -12.0070 -12.0070 -10.7100 -10.7100 -10.6835 -10.6835 -10.5720 -10.5720 -10.5415 -10.5415 1.8846 1.8846 3.6153 3.6153 7.0537 7.0537 8.0979 8.0979 8.1040 8.1040 8.4279 8.4279 8.5783 8.5783 9.1798 9.1798 9.3616 9.3616 10.0534 10.0534 10.4365 10.4365 10.6032 10.6032 10.7546 10.7546 11.0099 11.0099 11.3191 11.3191 11.6067 11.6067 11.8853 11.8853 12.1244 12.1244 12.3440 12.3440 13.2541 13.2541 k = 0.1339 0.1339-0.0000 ( 3823 PWs) bands (ev): -31.0491 -31.0491 -31.0181 -31.0181 -12.1072 -12.1072 -12.0042 -12.0042 -10.7094 -10.7094 -10.6823 -10.6823 -10.5682 -10.5682 -10.5410 -10.5410 1.8428 1.8428 3.6000 3.6000 7.0088 7.0088 8.0812 8.0812 8.1426 8.1426 8.4943 8.4943 8.5686 8.5686 9.1686 9.1686 9.3936 9.3936 10.0426 10.0426 10.4489 10.4489 10.6507 10.6507 10.7698 10.7698 11.0320 11.0320 11.3295 11.3295 11.6214 11.6214 11.9090 11.9090 12.1098 12.1098 12.4354 12.4354 13.2344 13.2344 k = 0.1250 0.1250-0.0000 ( 3823 PWs) bands (ev): -31.0497 -31.0497 -31.0179 -31.0179 -12.1072 -12.1072 -12.0015 -12.0015 -10.7091 -10.7091 -10.6808 -10.6808 -10.5646 -10.5646 -10.5406 -10.5406 1.8033 1.8033 3.5849 3.5849 6.9666 6.9666 8.0634 8.0634 8.1821 8.1821 8.5516 8.5516 8.5680 8.5680 9.1574 9.1574 9.4247 9.4247 10.0285 10.0285 10.4596 10.4596 10.6962 10.6962 10.7871 10.7871 11.0536 11.0536 11.3398 11.3398 11.6358 11.6358 11.9319 11.9319 12.0940 12.0940 12.5310 12.5310 13.2206 13.2206 k = 0.1161 0.1161-0.0000 ( 3823 PWs) bands (ev): -31.0503 -31.0503 -31.0178 -31.0178 -12.1072 -12.1072 -11.9990 -11.9990 -10.7090 -10.7090 -10.6791 -10.6791 -10.5611 -10.5611 -10.5403 -10.5403 1.7661 1.7661 3.5702 3.5702 6.9269 6.9269 8.0468 8.0468 8.2201 8.2201 8.5484 8.5484 8.6280 8.6280 9.1462 9.1462 9.4548 9.4548 10.0111 10.0111 10.4689 10.4689 10.7393 10.7393 10.8065 10.8065 11.0743 11.0743 11.3497 11.3497 11.6499 11.6499 11.9536 11.9536 12.0775 12.0775 12.6302 12.6302 13.2134 13.2134 k = 0.1071 0.1071-0.0000 ( 3821 PWs) bands (ev): -31.0509 -31.0509 -31.0177 -31.0177 -12.1071 -12.1071 -11.9966 -11.9966 -10.7090 -10.7090 -10.6774 -10.6774 -10.5578 -10.5578 -10.5400 -10.5400 1.7313 1.7313 3.5560 3.5560 6.8900 6.8900 8.0314 8.0314 8.2563 8.2563 8.5405 8.5405 8.6926 8.6926 9.1351 9.1351 9.4836 9.4836 9.9905 9.9905 10.4769 10.4769 10.7793 10.7793 10.8277 10.8277 11.0942 11.0942 11.3588 11.3588 11.6637 11.6637 11.9736 11.9736 12.0610 12.0610 12.7326 12.7326 13.2137 13.2137 k = 0.0982 0.0982-0.0000 ( 3809 PWs) bands (ev): -31.0514 -31.0514 -31.0176 -31.0176 -12.1071 -12.1071 -11.9944 -11.9944 -10.7092 -10.7092 -10.6756 -10.6756 -10.5548 -10.5548 -10.5398 -10.5398 1.6990 1.6990 3.5426 3.5426 6.8558 6.8558 8.0174 8.0174 8.2907 8.2907 8.5331 8.5331 8.7565 8.7565 9.1244 9.1244 9.5109 9.5109 9.9669 9.9669 10.4837 10.4837 10.8159 10.8159 10.8506 10.8506 11.1132 11.1132 11.3668 11.3668 11.6770 11.6770 11.9905 11.9905 12.0461 12.0461 12.8374 12.8374 13.2221 13.2221 k = 0.0893 0.0893-0.0000 ( 3821 PWs) bands (ev): -31.0519 -31.0519 -31.0175 -31.0175 -12.1070 -12.1070 -11.9923 -11.9923 -10.7094 -10.7094 -10.6739 -10.6739 -10.5519 -10.5519 -10.5396 -10.5396 1.6692 1.6692 3.5298 3.5298 6.8244 6.8244 8.0046 8.0046 8.3229 8.3229 8.5261 8.5261 8.8193 8.8193 9.1139 9.1139 9.5365 9.5365 9.9406 9.9406 10.4894 10.4894 10.8488 10.8488 10.8749 10.8749 11.1309 11.1309 11.3731 11.3731 11.6898 11.6898 11.9984 11.9984 12.0385 12.0385 12.9442 12.9442 13.2389 13.2389 k = 0.0804 0.0804-0.0000 ( 3825 PWs) bands (ev): -31.0523 -31.0523 -31.0174 -31.0174 -12.1070 -12.1070 -11.9904 -11.9904 -10.7096 -10.7096 -10.6722 -10.6722 -10.5493 -10.5493 -10.5395 -10.5395 1.6421 1.6421 3.5180 3.5180 6.7958 6.7958 7.9930 7.9930 8.3530 8.3530 8.5198 8.5198 8.8808 8.8808 9.1040 9.1040 9.5603 9.5603 9.9118 9.9118 10.4939 10.4939 10.8780 10.8780 10.9000 10.9000 11.1474 11.1474 11.3775 11.3775 11.7020 11.7020 11.9909 11.9909 12.0448 12.0448 13.0523 13.0523 13.2639 13.2639 k = 0.0714 0.0714-0.0000 ( 3825 PWs) bands (ev): -31.0527 -31.0527 -31.0173 -31.0173 -12.1069 -12.1069 -11.9887 -11.9887 -10.7099 -10.7099 -10.6706 -10.6706 -10.5470 -10.5470 -10.5394 -10.5394 1.6177 1.6177 3.5071 3.5071 6.7702 6.7702 7.9827 7.9827 8.3806 8.3806 8.5142 8.5142 8.9405 8.9405 9.0947 9.0947 9.5821 9.5821 9.8809 9.8809 10.4977 10.4977 10.9041 10.9041 10.9251 10.9251 11.1625 11.1625 11.3797 11.3797 11.7134 11.7134 11.9759 11.9759 12.0575 12.0575 13.1608 13.1608 13.2967 13.2967 k = 0.0625 0.0625-0.0000 ( 3831 PWs) bands (ev): -31.0531 -31.0531 -31.0172 -31.0172 -12.1069 -12.1069 -11.9872 -11.9872 -10.7102 -10.7102 -10.6691 -10.6691 -10.5449 -10.5449 -10.5393 -10.5393 1.5960 1.5960 3.4973 3.4973 6.7474 6.7474 7.9735 7.9735 8.4057 8.4057 8.5093 8.5093 8.9982 8.9982 9.0862 9.0862 9.6017 9.6017 9.8484 9.8484 10.5007 10.5007 10.9278 10.9278 10.9491 10.9491 11.1762 11.1762 11.3797 11.3797 11.7238 11.7238 11.9595 11.9595 12.0706 12.0706 13.2688 13.2688 13.3360 13.3360 k = 0.0536 0.0536-0.0000 ( 3829 PWs) bands (ev): -31.0534 -31.0534 -31.0172 -31.0172 -12.1069 -12.1069 -11.9858 -11.9858 -10.7104 -10.7104 -10.6678 -10.6678 -10.5431 -10.5431 -10.5392 -10.5392 1.5771 1.5771 3.4887 3.4887 6.7277 6.7277 7.9656 7.9656 8.4280 8.4280 8.5050 8.5050 9.0521 9.0521 9.0797 9.0797 9.6190 9.6190 9.8148 9.8148 10.5030 10.5030 10.9492 10.9492 10.9711 10.9711 11.1882 11.1882 11.3779 11.3779 11.7333 11.7333 11.9433 11.9433 12.0828 12.0828 13.3749 13.3749 13.3802 13.3802 k = 0.0446 0.0446-0.0000 ( 3829 PWs) bands (ev): -31.0536 -31.0536 -31.0171 -31.0171 -12.1068 -12.1068 -11.9847 -11.9847 -10.7107 -10.7107 -10.6666 -10.6666 -10.5417 -10.5417 -10.5391 -10.5391 1.5610 1.5610 3.4812 3.4812 6.7110 6.7110 7.9589 7.9589 8.4473 8.4473 8.5014 8.5014 9.0692 9.0692 9.1077 9.1077 9.6338 9.6338 9.7811 9.7811 10.5047 10.5047 10.9684 10.9684 10.9908 10.9908 11.1988 11.1988 11.3746 11.3746 11.7416 11.7416 11.9282 11.9282 12.0935 12.0935 13.4266 13.4266 13.4775 13.4775 k = 0.0357 0.0357-0.0000 ( 3821 PWs) bands (ev): -31.0538 -31.0538 -31.0171 -31.0171 -12.1068 -12.1068 -11.9837 -11.9837 -10.7108 -10.7108 -10.6657 -10.6657 -10.5407 -10.5407 -10.5387 -10.5387 1.5478 1.5478 3.4751 3.4751 6.6972 6.6972 7.9535 7.9535 8.4634 8.4634 8.4986 8.4986 9.0641 9.0641 9.1546 9.1546 9.6461 9.6461 9.7483 9.7483 10.5060 10.5060 10.9848 10.9848 11.0077 11.0077 11.2076 11.2076 11.3704 11.3704 11.7486 11.7486 11.9149 11.9149 12.1024 12.1024 13.4717 13.4717 13.5733 13.5733 k = 0.0268 0.0268-0.0000 ( 3811 PWs) bands (ev): -31.0540 -31.0540 -31.0170 -31.0170 -12.1068 -12.1068 -11.9830 -11.9830 -10.7110 -10.7110 -10.6649 -10.6649 -10.5402 -10.5402 -10.5382 -10.5382 1.5375 1.5375 3.4702 3.4702 6.6865 6.6865 7.9493 7.9493 8.4760 8.4760 8.4966 8.4966 9.0594 9.0594 9.1964 9.1964 9.6556 9.6556 9.7182 9.7182 10.5069 10.5069 10.9981 10.9981 11.0214 11.0214 11.2145 11.2145 11.3660 11.3660 11.7542 11.7542 11.9040 11.9040 12.1095 12.1095 13.5104 13.5104 13.6271 13.6271 k = 0.0179 0.0179-0.0000 ( 3807 PWs) bands (ev): -31.0541 -31.0541 -31.0170 -31.0170 -12.1067 -12.1067 -11.9825 -11.9825 -10.7111 -10.7111 -10.6643 -10.6643 -10.5400 -10.5400 -10.5377 -10.5377 1.5302 1.5302 3.4667 3.4667 6.6789 6.6789 7.9463 7.9463 8.4848 8.4848 8.4953 8.4953 9.0560 9.0560 9.2299 9.2299 9.6619 9.6619 9.6935 9.6935 10.5076 10.5076 11.0080 11.0080 11.0316 11.0316 11.2196 11.2196 11.3622 11.3622 11.7582 11.7582 11.8959 11.8959 12.1146 12.1146 13.5372 13.5372 13.6336 13.6336 k = 0.0089 0.0089-0.0000 ( 3797 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9821 -11.9821 -10.7112 -10.7112 -10.6640 -10.6640 -10.5399 -10.5399 -10.5373 -10.5373 1.5257 1.5257 3.4646 3.4646 6.6743 6.6743 7.9445 7.9445 8.4892 8.4892 8.4955 8.4955 9.0539 9.0539 9.2521 9.2521 9.6636 9.6636 9.6787 9.6787 10.5079 10.5079 11.0142 11.0142 11.0379 11.0379 11.2226 11.2226 11.3596 11.3596 11.7607 11.7607 11.8909 11.8909 12.1177 12.1177 13.5507 13.5507 13.6414 13.6414 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9820 -11.9820 -10.7112 -10.7112 -10.6639 -10.6639 -10.5399 -10.5399 -10.5372 -10.5372 1.5243 1.5243 3.4639 3.4639 6.6727 6.6727 7.9440 7.9440 8.4902 8.4902 8.4961 8.4961 9.0532 9.0532 9.2600 9.2600 9.6621 9.6621 9.6754 9.6754 10.5080 10.5080 11.0162 11.0162 11.0400 11.0400 11.2236 11.2236 11.3586 11.3586 11.7616 11.7616 11.8892 11.8892 12.1187 12.1187 13.5545 13.5545 13.6452 13.6452 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9820 -11.9820 -10.7112 -10.7112 -10.6639 -10.6639 -10.5399 -10.5399 -10.5372 -10.5372 1.5243 1.5243 3.4639 3.4639 6.6727 6.6727 7.9440 7.9440 8.4902 8.4902 8.4961 8.4961 9.0532 9.0532 9.2600 9.2600 9.6621 9.6621 9.6754 9.6754 10.5080 10.5080 11.0162 11.0162 11.0400 11.0400 11.2236 11.2236 11.3586 11.3586 11.7616 11.7616 11.8892 11.8892 12.1187 12.1187 13.5545 13.5545 13.6452 13.6452 k = 0.0000 0.0000 0.0122 ( 3787 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9820 -11.9820 -10.7112 -10.7112 -10.6639 -10.6639 -10.5400 -10.5400 -10.5372 -10.5372 1.5253 1.5253 3.4627 3.4627 6.6728 6.6728 7.9419 7.9419 8.4904 8.4904 8.4963 8.4963 9.0532 9.0532 9.2611 9.2611 9.6617 9.6617 9.6750 9.6750 10.5099 10.5099 11.0163 11.0163 11.0401 11.0401 11.2234 11.2234 11.3573 11.3573 11.7444 11.7444 11.8892 11.8892 12.1353 12.1353 13.5526 13.5526 13.6432 13.6432 k = 0.0000 0.0000 0.0244 ( 3799 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1067 -12.1067 -11.9821 -11.9821 -10.7111 -10.7111 -10.6639 -10.6639 -10.5401 -10.5401 -10.5372 -10.5372 1.5283 1.5283 3.4590 3.4590 6.6731 6.6731 7.9357 7.9357 8.4910 8.4910 8.4969 8.4969 9.0533 9.0533 9.2646 9.2646 9.6606 9.6606 9.6738 9.6738 10.5155 10.5155 11.0166 11.0166 11.0405 11.0405 11.2227 11.2227 11.3535 11.3535 11.7002 11.7002 11.8893 11.8893 12.1779 12.1779 13.5470 13.5470 13.6370 13.6370 k = 0.0000 0.0000 0.0367 ( 3811 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1066 -12.1066 -11.9822 -11.9822 -10.7109 -10.7109 -10.6639 -10.6639 -10.5404 -10.5404 -10.5372 -10.5372 1.5332 1.5332 3.4529 3.4529 6.6736 6.6736 7.9253 7.9253 8.4918 8.4918 8.4978 8.4978 9.0534 9.0534 9.2704 9.2704 9.6588 9.6588 9.6720 9.6720 10.5246 10.5246 11.0171 11.0171 11.0411 11.0411 11.2215 11.2215 11.3475 11.3475 11.6410 11.6410 11.8892 11.8892 12.2345 12.2345 13.5376 13.5376 13.6268 13.6268 k = 0.0000 0.0000 0.0489 ( 3803 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1065 -12.1065 -11.9823 -11.9823 -10.7106 -10.7106 -10.6639 -10.6639 -10.5407 -10.5407 -10.5372 -10.5372 1.5401 1.5401 3.4443 3.4443 6.6746 6.6746 7.9108 7.9108 8.4933 8.4933 8.4993 8.4993 9.0537 9.0537 9.2785 9.2785 9.6563 9.6563 9.6694 9.6694 10.5371 10.5371 11.0179 11.0179 11.0420 11.0420 11.2193 11.2193 11.3397 11.3397 11.5746 11.5746 11.8893 11.8893 12.2977 12.2977 13.5248 13.5248 13.6131 13.6131 k = 0.0000 0.0000 0.0611 ( 3827 PWs) bands (ev): -31.0542 -31.0542 -31.0170 -31.0170 -12.1064 -12.1064 -11.9825 -11.9825 -10.7103 -10.7103 -10.6639 -10.6639 -10.5411 -10.5411 -10.5372 -10.5372 1.5489 1.5489 3.4335 3.4335 6.6761 6.6761 7.8921 7.8921 8.4950 8.4950 8.5011 8.5011 9.0539 9.0539 9.2889 9.2889 9.6531 9.6531 9.6661 9.6661 10.5526 10.5526 11.0188 11.0188 11.0431 11.0431 11.2157 11.2157 11.3306 11.3306 11.5054 11.5054 11.8889 11.8889 12.3634 12.3634 13.5087 13.5087 13.5960 13.5960 k = 0.0000 0.0000 0.0733 ( 3839 PWs) bands (ev): -31.0542 -31.0542 -31.0171 -31.0171 -12.1062 -12.1062 -11.9826 -11.9826 -10.7099 -10.7099 -10.6639 -10.6639 -10.5416 -10.5416 -10.5372 -10.5372 1.5595 1.5595 3.4204 3.4204 6.6785 6.6785 7.8697 7.8697 8.4971 8.4971 8.5033 8.5033 9.0542 9.0542 9.3015 9.3015 9.6493 9.6493 9.6621 9.6621 10.5706 10.5706 11.0199 11.0199 11.0444 11.0444 11.2094 11.2094 11.3210 11.3210 11.4368 11.4368 11.8890 11.8890 12.4296 12.4296 13.4898 13.4898 13.5760 13.5760 k = 0.0000 0.0000 0.0856 ( 3860 PWs) bands (ev): -31.0542 -31.0542 -31.0171 -31.0171 -12.1061 -12.1061 -11.9829 -11.9829 -10.7094 -10.7094 -10.6640 -10.6640 -10.5422 -10.5422 -10.5372 -10.5372 1.5717 1.5717 3.4053 3.4053 6.6819 6.6819 7.8436 7.8436 8.4995 8.4995 8.5058 8.5058 9.0544 9.0544 9.3164 9.3164 9.6449 9.6449 9.6576 9.6576 10.5907 10.5907 11.0213 11.0213 11.0458 11.0458 11.1974 11.1974 11.3114 11.3114 11.3728 11.3728 11.8889 11.8889 12.4952 12.4952 13.4685 13.4685 13.5536 13.5536 k = 0.0000 0.0000 0.0978 ( 3864 PWs) bands (ev): -31.0541 -31.0541 -31.0171 -31.0171 -12.1059 -12.1059 -11.9831 -11.9831 -10.7089 -10.7089 -10.6640 -10.6640 -10.5428 -10.5428 -10.5372 -10.5372 1.5854 1.5854 3.3882 3.3882 6.6866 6.6866 7.8138 7.8138 8.5022 8.5022 8.5086 8.5086 9.0548 9.0548 9.3334 9.3334 9.6400 9.6400 9.6526 9.6526 10.6122 10.6122 11.0230 11.0230 11.0473 11.0473 11.1740 11.1740 11.3025 11.3025 11.3204 11.3204 11.8890 11.8890 12.5593 12.5593 13.4452 13.4452 13.5293 13.5293 k = 0.0000 0.0000 0.1100 ( 3864 PWs) bands (ev): -31.0541 -31.0541 -31.0171 -31.0171 -12.1057 -12.1057 -11.9833 -11.9833 -10.7083 -10.7083 -10.6640 -10.6640 -10.5435 -10.5435 -10.5372 -10.5372 1.6006 1.6006 3.3694 3.3694 6.6929 6.6929 7.7808 7.7808 8.5051 8.5051 8.5116 8.5116 9.0553 9.0553 9.3526 9.3526 9.6347 9.6347 9.6471 9.6471 10.6346 10.6346 11.0250 11.0250 11.0484 11.0484 11.1329 11.1329 11.2867 11.2867 11.2949 11.2949 11.8890 11.8890 12.6213 12.6213 13.4206 13.4206 13.5036 13.5036 k = 0.0000 0.0000 0.1222 ( 3864 PWs) bands (ev): -31.0541 -31.0541 -31.0171 -31.0171 -12.1054 -12.1054 -11.9836 -11.9836 -10.7078 -10.7078 -10.6640 -10.6640 -10.5443 -10.5443 -10.5372 -10.5372 1.6170 1.6170 3.3490 3.3490 6.7010 6.7010 7.7448 7.7448 8.5083 8.5083 8.5150 8.5150 9.0557 9.0557 9.3738 9.3738 9.6291 9.6291 9.6413 9.6413 10.6571 10.6571 11.0271 11.0271 11.0451 11.0451 11.0808 11.0808 11.2691 11.2691 11.2892 11.2892 11.8892 11.8892 12.6808 12.6808 13.3950 13.3950 13.4769 13.4769 k = 0.0000 0.0000 0.1345 ( 3864 PWs) bands (ev): -31.0541 -31.0541 -31.0172 -31.0172 -12.1052 -12.1052 -11.9838 -11.9838 -10.7071 -10.7071 -10.6640 -10.6640 -10.5450 -10.5450 -10.5372 -10.5372 1.6344 1.6344 3.3274 3.3274 6.7110 6.7110 7.7059 7.7059 8.5117 8.5117 8.5185 8.5185 9.0562 9.0562 9.3969 9.3969 9.6232 9.6232 9.6353 9.6353 10.6791 10.6791 11.0028 11.0028 11.0296 11.0296 11.0603 11.0603 11.2602 11.2602 11.2857 11.2857 11.8892 11.8892 12.7375 12.7375 13.3690 13.3690 13.4499 13.4499 k = 0.0000 0.0000 0.1467 ( 3868 PWs) bands (ev): -31.0541 -31.0541 -31.0172 -31.0172 -12.1050 -12.1050 -11.9841 -11.9841 -10.7065 -10.7065 -10.6640 -10.6640 -10.5458 -10.5458 -10.5371 -10.5371 1.6527 1.6527 3.3049 3.3049 6.7233 6.7233 7.6646 7.6646 8.5151 8.5151 8.5220 8.5220 9.0567 9.0567 9.4217 9.4217 9.6172 9.6172 9.6291 9.6291 10.6999 10.6999 10.9374 10.9374 11.0323 11.0323 11.0606 11.0606 11.2552 11.2552 11.2849 11.2849 11.8893 11.8893 12.7910 12.7910 13.3430 13.3430 13.4228 13.4228 k = 0.0000 0.0000 0.1589 ( 3876 PWs) bands (ev): -31.0540 -31.0540 -31.0172 -31.0172 -12.1047 -12.1047 -11.9844 -11.9844 -10.7059 -10.7059 -10.6640 -10.6640 -10.5466 -10.5466 -10.5371 -10.5371 1.6714 1.6714 3.2816 3.2816 6.7379 6.7379 7.6212 7.6212 8.5185 8.5185 8.5255 8.5255 9.0572 9.0572 9.4482 9.4482 9.6111 9.6111 9.6229 9.6229 10.7190 10.7190 10.8700 10.8700 11.0350 11.0350 11.0626 11.0626 11.2522 11.2522 11.2869 11.2869 11.8894 11.8894 12.8410 12.8410 13.3175 13.3175 13.3962 13.3962 k = 0.0000 0.0000 0.1711 ( 3876 PWs) bands (ev): -31.0540 -31.0540 -31.0172 -31.0172 -12.1045 -12.1045 -11.9846 -11.9846 -10.7052 -10.7052 -10.6640 -10.6640 -10.5474 -10.5474 -10.5371 -10.5371 1.6904 1.6904 3.2582 3.2582 6.7549 6.7549 7.5761 7.5761 8.5219 8.5219 8.5291 8.5291 9.0576 9.0576 9.4761 9.4761 9.6051 9.6051 9.6167 9.6167 10.7359 10.7359 10.8033 10.8033 11.0380 11.0380 11.0652 11.0652 11.2503 11.2503 11.2915 11.2915 11.8895 11.8895 12.8873 12.8873 13.2927 13.2927 13.3706 13.3706 k = 0.0000 0.0000 0.1834 ( 3876 PWs) bands (ev): -31.0540 -31.0540 -31.0173 -31.0173 -12.1043 -12.1043 -11.9849 -11.9849 -10.7046 -10.7046 -10.6640 -10.6640 -10.5481 -10.5481 -10.5371 -10.5371 1.7093 1.7093 3.2348 3.2348 6.7745 6.7745 7.5298 7.5298 8.5252 8.5252 8.5325 8.5325 9.0581 9.0581 9.5052 9.5052 9.5993 9.5993 9.6107 9.6107 10.7382 10.7382 10.7506 10.7506 11.0409 11.0409 11.0679 11.0679 11.2490 11.2490 11.2986 11.2986 11.8896 11.8896 12.9298 12.9298 13.2692 13.2692 13.3462 13.3462 k = 0.0000 0.0000 0.1956 ( 3884 PWs) bands (ev): -31.0540 -31.0540 -31.0173 -31.0173 -12.1041 -12.1041 -11.9851 -11.9851 -10.7040 -10.7040 -10.6640 -10.6640 -10.5489 -10.5489 -10.5371 -10.5371 1.7278 1.7278 3.2121 3.2121 6.7965 6.7965 7.4825 7.4825 8.5284 8.5284 8.5358 8.5358 9.0585 9.0585 9.5350 9.5350 9.5937 9.5937 9.6050 9.6050 10.6756 10.6756 10.7628 10.7628 11.0437 11.0437 11.0705 11.0705 11.2481 11.2481 11.3076 11.3076 11.8897 11.8897 12.9682 12.9682 13.2472 13.2472 13.3234 13.3234 k = 0.0000 0.0000 0.2078 ( 3880 PWs) bands (ev): -31.0540 -31.0540 -31.0173 -31.0173 -12.1039 -12.1039 -11.9853 -11.9853 -10.7035 -10.7035 -10.6640 -10.6640 -10.5495 -10.5495 -10.5371 -10.5371 1.7455 1.7455 3.1904 3.1904 6.8210 6.8210 7.4350 7.4350 8.5314 8.5314 8.5389 8.5389 9.0589 9.0589 9.5653 9.5653 9.5885 9.5885 9.5997 9.5997 10.6162 10.6162 10.7726 10.7726 11.0464 11.0464 11.0731 11.0731 11.2476 11.2476 11.3180 11.3180 11.8898 11.8898 13.0024 13.0024 13.2270 13.2270 13.3026 13.3026 k = 0.0000 0.0000 0.2200 ( 3876 PWs) bands (ev): -31.0539 -31.0539 -31.0173 -31.0173 -12.1037 -12.1037 -11.9855 -11.9855 -10.7029 -10.7029 -10.6640 -10.6640 -10.5501 -10.5501 -10.5371 -10.5371 1.7620 1.7620 3.1702 3.1702 6.8477 6.8477 7.3875 7.3875 8.5341 8.5341 8.5417 8.5417 9.0593 9.0593 9.5837 9.5837 9.5946 9.5946 9.5955 9.5955 10.5607 10.5607 10.7805 10.7805 11.0489 11.0489 11.0755 11.0755 11.2472 11.2472 11.3290 11.3290 11.8899 11.8899 13.0322 13.0322 13.2090 13.2090 13.2840 13.2840 k = 0.0000 0.0000 0.2323 ( 3876 PWs) bands (ev): -31.0539 -31.0539 -31.0173 -31.0173 -12.1035 -12.1035 -11.9857 -11.9857 -10.7025 -10.7025 -10.6641 -10.6641 -10.5507 -10.5507 -10.5371 -10.5371 1.7768 1.7768 3.1521 3.1521 6.8763 6.8763 7.3408 7.3408 8.5364 8.5364 8.5442 8.5442 9.0596 9.0596 9.5795 9.5795 9.5906 9.5906 9.6240 9.6240 10.5101 10.5101 10.7866 10.7866 11.0511 11.0511 11.0777 11.0777 11.2470 11.2470 11.3399 11.3399 11.8900 11.8900 13.0575 13.0575 13.1934 13.1934 13.2679 13.2679 k = 0.0000 0.0000 0.2445 ( 3876 PWs) bands (ev): -31.0539 -31.0539 -31.0173 -31.0173 -12.1034 -12.1034 -11.9859 -11.9859 -10.7021 -10.7021 -10.6641 -10.6641 -10.5511 -10.5511 -10.5371 -10.5371 1.7897 1.7897 3.1365 3.1365 6.9064 6.9064 7.2956 7.2956 8.5386 8.5386 8.5464 8.5464 9.0598 9.0598 9.5760 9.5760 9.5870 9.5870 9.6507 9.6507 10.4654 10.4654 10.7911 10.7911 11.0528 11.0528 11.0795 11.0795 11.2468 11.2468 11.3498 11.3498 11.8901 11.8901 13.0783 13.0783 13.1803 13.1803 13.2546 13.2546 k = 0.0000 0.0000 0.2567 ( 3868 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1033 -12.1033 -11.9860 -11.9860 -10.7018 -10.7018 -10.6641 -10.6641 -10.5515 -10.5515 -10.5371 -10.5371 1.8001 1.8001 3.1239 3.1239 6.9369 6.9369 7.2531 7.2531 8.5402 8.5402 8.5480 8.5480 9.0602 9.0602 9.5731 9.5731 9.5841 9.5841 9.6739 9.6739 10.4282 10.4282 10.7943 10.7943 11.0544 11.0544 11.0811 11.0811 11.2467 11.2467 11.3583 11.3583 11.8901 11.8901 13.0944 13.0944 13.1699 13.1699 13.2441 13.2441 k = 0.0000 0.0000 0.2689 ( 3868 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1032 -12.1032 -11.9861 -11.9861 -10.7016 -10.7016 -10.6641 -10.6641 -10.5518 -10.5518 -10.5371 -10.5371 1.8078 1.8078 3.1145 3.1145 6.9657 6.9657 7.2157 7.2157 8.5413 8.5413 8.5493 8.5493 9.0603 9.0603 9.5711 9.5711 9.5820 9.5820 9.6922 9.6922 10.3999 10.3999 10.7966 10.7966 11.0555 11.0555 11.0822 11.0822 11.2465 11.2465 11.3647 11.3647 11.8901 11.8901 13.1059 13.1059 13.1624 13.1624 13.2365 13.2365 k = 0.0000 0.0000 0.2812 ( 3868 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1031 -12.1031 -11.9861 -11.9861 -10.7014 -10.7014 -10.6641 -10.6641 -10.5519 -10.5519 -10.5371 -10.5371 1.8126 1.8126 3.1088 3.1088 6.9885 6.9885 7.1876 7.1876 8.5421 8.5421 8.5500 8.5500 9.0604 9.0604 9.5698 9.5698 9.5807 9.5807 9.7039 9.7039 10.3821 10.3821 10.7978 10.7978 11.0561 11.0561 11.0828 11.0828 11.2465 11.2465 11.3688 11.3688 11.8902 11.8902 13.1127 13.1127 13.1579 13.1579 13.2320 13.2320 k = 0.0000 0.0000 0.2934 ( 3868 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1031 -12.1031 -11.9861 -11.9861 -10.7014 -10.7014 -10.6641 -10.6641 -10.5520 -10.5520 -10.5371 -10.5371 1.8141 1.8141 3.1068 3.1068 6.9978 6.9978 7.1766 7.1766 8.5423 8.5423 8.5503 8.5503 9.0605 9.0605 9.5694 9.5694 9.5803 9.5803 9.7080 9.7080 10.3760 10.3760 10.7982 10.7982 11.0563 11.0563 11.0831 11.0831 11.2465 11.2465 11.3701 11.3701 11.8902 11.8902 13.1150 13.1150 13.1564 13.1564 13.2305 13.2305 k = 0.0000 0.0000 0.2934 ( 3868 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1031 -12.1031 -11.9861 -11.9861 -10.7014 -10.7014 -10.6641 -10.6641 -10.5520 -10.5520 -10.5371 -10.5371 1.8141 1.8141 3.1068 3.1068 6.9978 6.9978 7.1766 7.1766 8.5423 8.5423 8.5503 8.5503 9.0605 9.0605 9.5694 9.5694 9.5803 9.5803 9.7080 9.7080 10.3760 10.3760 10.7982 10.7982 11.0563 11.0563 11.0831 11.0831 11.2465 11.2465 11.3701 11.3701 11.8902 11.8902 13.1150 13.1150 13.1564 13.1564 13.2305 13.2305 k = 0.0000 0.0125 0.2934 ( 3866 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1031 -12.1031 -11.9862 -11.9862 -10.7014 -10.7014 -10.6642 -10.6642 -10.5520 -10.5520 -10.5372 -10.5372 1.8154 1.8154 3.1080 3.1080 6.9991 6.9991 7.1767 7.1767 8.5419 8.5419 8.5499 8.5499 9.0610 9.0610 9.5470 9.5470 9.5741 9.5741 9.7319 9.7319 10.3761 10.3761 10.7976 10.7976 11.0553 11.0553 11.0820 11.0820 11.2457 11.2457 11.3717 11.3717 11.8915 11.8915 13.1169 13.1169 13.1536 13.1536 13.2278 13.2278 k = 0.0000 0.0250 0.2934 ( 3866 PWs) bands (ev): -31.0538 -31.0538 -31.0174 -31.0174 -12.1031 -12.1031 -11.9865 -11.9865 -10.7014 -10.7014 -10.6646 -10.6646 -10.5519 -10.5519 -10.5375 -10.5375 1.8192 1.8192 3.1114 3.1114 7.0029 7.0029 7.1769 7.1769 8.5405 8.5405 8.5490 8.5490 9.0628 9.0628 9.4922 9.4922 9.5687 9.5687 9.7784 9.7784 10.3762 10.3762 10.7957 10.7957 11.0522 11.0522 11.0787 11.0787 11.2431 11.2431 11.3764 11.3764 11.8953 11.8953 13.1224 13.1224 13.1448 13.1448 13.2204 13.2204 k = 0.0000 0.0375 0.2934 ( 3858 PWs) bands (ev): -31.0537 -31.0537 -31.0174 -31.0174 -12.1032 -12.1032 -11.9870 -11.9870 -10.7013 -10.7013 -10.6652 -10.6652 -10.5519 -10.5519 -10.5381 -10.5381 1.8254 1.8254 3.1170 3.1170 7.0094 7.0094 7.1773 7.1773 8.5376 8.5376 8.5481 8.5481 9.0656 9.0656 9.4275 9.4275 9.5606 9.5606 9.8285 9.8285 10.3762 10.3762 10.7927 10.7927 11.0469 11.0469 11.0732 11.0732 11.2388 11.2388 11.3841 11.3841 11.9017 11.9017 13.1250 13.1250 13.1346 13.1346 13.2109 13.2109 k = 0.0000 0.0500 0.2934 ( 3858 PWs) bands (ev): -31.0535 -31.0535 -31.0174 -31.0174 -12.1032 -12.1032 -11.9877 -11.9877 -10.7013 -10.7013 -10.6660 -10.6660 -10.5520 -10.5520 -10.5388 -10.5388 1.8342 1.8342 3.1249 3.1249 7.0184 7.0184 7.1776 7.1776 8.5328 8.5328 8.5475 8.5475 9.0696 9.0696 9.3586 9.3586 9.5496 9.5496 9.8774 9.8774 10.3759 10.3759 10.7889 10.7889 11.0395 11.0395 11.0659 11.0659 11.2329 11.2329 11.3943 11.3943 11.9100 11.9100 13.1002 13.1002 13.1457 13.1457 13.2020 13.2020 k = 0.0000 0.0625 0.2934 ( 3858 PWs) bands (ev): -31.0533 -31.0533 -31.0175 -31.0175 -12.1033 -12.1033 -11.9886 -11.9886 -10.7013 -10.7013 -10.6670 -10.6670 -10.5521 -10.5521 -10.5396 -10.5396 1.8455 1.8455 3.1349 3.1349 7.0299 7.0299 7.1776 7.1776 8.5260 8.5260 8.5471 8.5471 9.0747 9.0747 9.2873 9.2873 9.5358 9.5358 9.9239 9.9239 10.3748 10.3748 10.7847 10.7847 11.0301 11.0301 11.0568 11.0568 11.2253 11.2253 11.4068 11.4068 11.9200 11.9200 13.0646 13.0646 13.1604 13.1604 13.1963 13.1963 k = 0.0000 0.0750 0.2934 ( 3864 PWs) bands (ev): -31.0530 -31.0530 -31.0175 -31.0175 -12.1034 -12.1034 -11.9897 -11.9897 -10.7013 -10.7013 -10.6682 -10.6682 -10.5523 -10.5523 -10.5405 -10.5405 1.8592 1.8592 3.1471 3.1471 7.0438 7.0438 7.1773 7.1773 8.5173 8.5173 8.5469 8.5469 9.0809 9.0809 9.2151 9.2151 9.5192 9.5192 9.9674 9.9674 10.3725 10.3725 10.7805 10.7805 11.0186 11.0186 11.0462 11.0462 11.2162 11.2162 11.4212 11.4212 11.9309 11.9309 13.0211 13.0211 13.1712 13.1712 13.1998 13.1998 k = 0.0000 0.0875 0.2934 ( 3856 PWs) bands (ev): -31.0527 -31.0527 -31.0176 -31.0176 -12.1034 -12.1034 -11.9910 -11.9910 -10.7014 -10.7014 -10.6695 -10.6695 -10.5529 -10.5529 -10.5413 -10.5413 1.8753 1.8753 3.1613 3.1613 7.0601 7.0601 7.1763 7.1763 8.5068 8.5068 8.5467 8.5467 9.0873 9.0873 9.1434 9.1434 9.5002 9.5002 10.0079 10.0079 10.3685 10.3685 10.7770 10.7770 11.0051 11.0051 11.0341 11.0341 11.2056 11.2056 11.4370 11.4370 11.9428 11.9428 12.9713 12.9713 13.1716 13.1716 13.2185 13.2185 k = 0.0000 0.1000 0.2934 ( 3854 PWs) bands (ev): -31.0524 -31.0524 -31.0177 -31.0177 -12.1035 -12.1035 -11.9925 -11.9925 -10.7015 -10.7015 -10.6709 -10.6709 -10.5537 -10.5537 -10.5420 -10.5420 1.8939 1.8939 3.1775 3.1775 7.0788 7.0788 7.1742 7.1742 8.4944 8.4944 8.5465 8.5465 9.0660 9.0660 9.1013 9.1013 9.4788 9.4788 10.0454 10.0454 10.3622 10.3622 10.7747 10.7747 10.9897 10.9897 11.0209 11.0209 11.1936 11.1936 11.4539 11.4539 11.9545 11.9545 12.9169 12.9169 13.1685 13.1685 13.2454 13.2454 k = 0.0000 0.1125 0.2934 ( 3850 PWs) bands (ev): -31.0520 -31.0520 -31.0178 -31.0178 -12.1036 -12.1036 -11.9941 -11.9941 -10.7018 -10.7018 -10.6724 -10.6724 -10.5550 -10.5550 -10.5425 -10.5425 1.9149 1.9149 3.1955 3.1955 7.0997 7.0997 7.1707 7.1707 8.4801 8.4801 8.5464 8.5464 8.9974 8.9974 9.1089 9.1089 9.4554 9.4554 10.0799 10.0799 10.3533 10.3533 10.7740 10.7740 10.9726 10.9726 11.0062 11.0062 11.1802 11.1802 11.4713 11.4713 11.9658 11.9658 12.8592 12.8592 13.1656 13.1656 13.2767 13.2767 k = 0.0000 0.1250 0.2934 ( 3848 PWs) bands (ev): -31.0516 -31.0516 -31.0179 -31.0179 -12.1037 -12.1037 -11.9959 -11.9959 -10.7022 -10.7022 -10.6738 -10.6738 -10.5566 -10.5566 -10.5428 -10.5428 1.9383 1.9383 3.2153 3.2153 7.1228 7.1228 7.1653 7.1653 8.4639 8.4639 8.5463 8.5463 8.9292 8.9292 9.1197 9.1197 9.4301 9.4301 10.1116 10.1116 10.3414 10.3414 10.7754 10.7754 10.9539 10.9539 10.9905 10.9905 11.1654 11.1654 11.4891 11.4891 11.9760 11.9760 12.7992 12.7992 13.1634 13.1634 13.3113 13.3113 k = 0.0000 0.1375 0.2934 ( 3848 PWs) bands (ev): -31.0511 -31.0511 -31.0180 -31.0180 -12.1038 -12.1038 -11.9979 -11.9979 -10.7029 -10.7029 -10.6751 -10.6751 -10.5586 -10.5586 -10.5429 -10.5429 1.9640 1.9640 3.2367 3.2367 7.1476 7.1476 7.1578 7.1578 8.4456 8.4456 8.5462 8.5462 8.8638 8.8638 9.1318 9.1318 9.4032 9.4032 10.1404 10.1404 10.3265 10.3265 10.7788 10.7788 10.9339 10.9339 10.9734 10.9734 11.1496 11.1496 11.5070 11.5070 11.9848 11.9848 12.7379 12.7379 13.1624 13.1624 13.3487 13.3487 k = 0.0000 0.1500 0.2934 ( 3852 PWs) bands (ev): -31.0506 -31.0506 -31.0181 -31.0181 -12.1039 -12.1039 -12.0000 -12.0000 -10.7037 -10.7037 -10.6764 -10.6764 -10.5608 -10.5608 -10.5429 -10.5429 1.9920 1.9920 3.2596 3.2596 7.1471 7.1471 7.1747 7.1747 8.4251 8.4251 8.5460 8.5460 8.8023 8.8023 9.1450 9.1450 9.3750 9.3750 10.1664 10.1664 10.3091 10.3091 10.7839 10.7839 10.9130 10.9130 10.9553 10.9553 11.1326 11.1326 11.5247 11.5247 11.9917 11.9917 12.6760 12.6760 13.1624 13.1624 13.3880 13.3880 k = 0.0000 0.1625 0.2934 ( 3862 PWs) bands (ev): -31.0501 -31.0501 -31.0182 -31.0182 -12.1040 -12.1040 -12.0023 -12.0023 -10.7048 -10.7048 -10.6776 -10.6776 -10.5632 -10.5632 -10.5429 -10.5429 2.0223 2.0223 3.2839 3.2839 7.1335 7.1335 7.2032 7.2032 8.4026 8.4026 8.5457 8.5457 8.7456 8.7456 9.1594 9.1594 9.3456 9.3456 10.1890 10.1890 10.2899 10.2899 10.7895 10.7895 10.8918 10.8918 10.9364 10.9364 11.1147 11.1147 11.5420 11.5420 11.9966 11.9966 12.6142 12.6142 13.1634 13.1634 13.4284 13.4284 k = 0.0000 0.1750 0.2934 ( 3854 PWs) bands (ev): -31.0495 -31.0495 -31.0184 -31.0184 -12.1041 -12.1041 -12.0048 -12.0048 -10.7061 -10.7061 -10.6786 -10.6786 -10.5657 -10.5657 -10.5428 -10.5428 2.0548 2.0548 3.3092 3.3092 7.1162 7.1162 7.2331 7.2331 8.3780 8.3780 8.5454 8.5454 8.6945 8.6945 9.1750 9.1750 9.3155 9.3155 10.2065 10.2065 10.2715 10.2715 10.7935 10.7935 10.8715 10.8715 10.9177 10.9177 11.0962 11.0962 11.5590 11.5590 11.9990 11.9990 12.5530 12.5530 13.1648 13.1648 13.4683 13.4683 k = 0.0000 0.1875 0.2934 ( 3858 PWs) bands (ev): -31.0489 -31.0489 -31.0185 -31.0185 -12.1041 -12.1041 -12.0073 -12.0073 -10.7076 -10.7076 -10.6795 -10.6795 -10.5682 -10.5682 -10.5427 -10.5427 2.0894 2.0894 3.3355 3.3355 7.0949 7.0949 7.2641 7.2641 8.3515 8.3515 8.5450 8.5450 8.6496 8.6496 9.1913 9.1913 9.2849 9.2849 10.2116 10.2116 10.2618 10.2618 10.7913 10.7913 10.8536 10.8536 10.9012 10.9012 11.0775 11.0775 11.5755 11.5755 11.9990 11.9990 12.4928 12.4928 13.1661 13.1661 13.5052 13.5052 k = 0.0000 0.2000 0.2934 ( 3856 PWs) bands (ev): -31.0483 -31.0483 -31.0187 -31.0187 -12.1042 -12.1042 -12.0100 -12.0100 -10.7093 -10.7093 -10.6804 -10.6804 -10.5708 -10.5708 -10.5427 -10.5427 2.1262 2.1262 3.3624 3.3624 7.0696 7.0696 7.2958 7.2958 8.3233 8.3233 8.5440 8.5440 8.6118 8.6118 9.2076 9.2076 9.2550 9.2550 10.1981 10.1981 10.2678 10.2678 10.7790 10.7790 10.8373 10.8373 10.8910 10.8910 11.0594 11.0594 11.5915 11.5915 11.9965 11.9965 12.4340 12.4340 13.1665 13.1665 13.5348 13.5348 k = 0.0000 0.2125 0.2934 ( 3848 PWs) bands (ev): -31.0476 -31.0476 -31.0189 -31.0189 -12.1041 -12.1041 -12.0128 -12.0128 -10.7112 -10.7112 -10.6812 -10.6812 -10.5732 -10.5732 -10.5427 -10.5427 2.1650 2.1650 3.3898 3.3898 7.0402 7.0402 7.3277 7.3277 8.2936 8.2936 8.5420 8.5420 8.5822 8.5822 9.2117 9.2117 9.2381 9.2381 10.1759 10.1759 10.2801 10.2801 10.7580 10.7580 10.8176 10.8176 10.8889 10.8889 11.0432 11.0432 11.6070 11.6070 11.9917 11.9917 12.3768 12.3768 13.1648 13.1648 13.5501 13.5501 k = 0.0000 0.2250 0.2934 ( 3848 PWs) bands (ev): -31.0469 -31.0469 -31.0191 -31.0191 -12.1041 -12.1041 -12.0157 -12.0157 -10.7131 -10.7131 -10.6820 -10.6820 -10.5756 -10.5756 -10.5428 -10.5428 2.2058 2.2058 3.4174 3.4174 7.0069 7.0069 7.3591 7.3591 8.2629 8.2629 8.5366 8.5366 8.5629 8.5629 9.1852 9.1852 9.2527 9.2527 10.1518 10.1518 10.2928 10.2928 10.7320 10.7320 10.7936 10.7936 10.8897 10.8897 11.0312 11.0312 11.6221 11.6221 11.9847 11.9847 12.3216 12.3216 13.1599 13.1599 13.5423 13.5423 k = 0.0000 0.2375 0.2934 ( 3852 PWs) bands (ev): -31.0462 -31.0462 -31.0194 -31.0194 -12.1040 -12.1040 -12.0187 -12.0187 -10.7152 -10.7152 -10.6830 -10.6830 -10.5778 -10.5778 -10.5430 -10.5430 2.2485 2.2485 3.4448 3.4448 6.9701 6.9701 7.3892 7.3892 8.2322 8.2322 8.5265 8.5265 8.5551 8.5551 9.1540 9.1540 9.2730 9.2730 10.1276 10.1276 10.3044 10.3044 10.7033 10.7033 10.7664 10.7664 10.8868 10.8868 11.0263 11.0263 11.6365 11.6365 11.9756 11.9756 12.2685 12.2685 13.1508 13.1508 13.5059 13.5059 k = 0.0000 0.2500 0.2934 ( 3856 PWs) bands (ev): -31.0455 -31.0455 -31.0196 -31.0196 -12.1039 -12.1039 -12.0218 -12.0218 -10.7172 -10.7172 -10.6840 -10.6840 -10.5797 -10.5797 -10.5432 -10.5432 2.2930 2.2930 3.4718 3.4718 6.9306 6.9306 7.4169 7.4169 8.2023 8.2023 8.5173 8.5173 8.5530 8.5530 9.1224 9.1224 9.2950 9.2950 10.1043 10.1043 10.3146 10.3146 10.6728 10.6728 10.7373 10.7373 10.8765 10.8765 11.0303 11.0303 11.6505 11.6505 11.9648 11.9648 12.2177 12.2177 13.1365 13.1365 13.4446 13.4446 k = 0.0000 0.2625 0.2934 ( 3852 PWs) bands (ev): -31.0447 -31.0447 -31.0199 -31.0199 -12.1037 -12.1037 -12.0250 -12.0250 -10.7192 -10.7192 -10.6851 -10.6851 -10.5815 -10.5815 -10.5435 -10.5435 2.3393 2.3393 3.4979 3.4979 6.8891 6.8891 7.4407 7.4407 8.1748 8.1748 8.5123 8.5123 8.5528 8.5528 9.0909 9.0909 9.3183 9.3183 10.0825 10.0825 10.3231 10.3231 10.6410 10.6410 10.7066 10.7066 10.8590 10.8590 11.0420 11.0420 11.6638 11.6638 11.9526 11.9526 12.1693 12.1693 13.1168 13.1168 13.3669 13.3669 k = 0.0000 0.2750 0.2934 ( 3852 PWs) bands (ev): -31.0440 -31.0440 -31.0202 -31.0202 -12.1035 -12.1035 -12.0282 -12.0282 -10.7211 -10.7211 -10.6865 -10.6865 -10.5829 -10.5829 -10.5440 -10.5440 2.3873 2.3873 3.5228 3.5228 6.8464 6.8464 7.4588 7.4588 8.1514 8.1514 8.5120 8.5120 8.5535 8.5535 9.0597 9.0597 9.3426 9.3426 10.0627 10.0627 10.3297 10.3297 10.6082 10.6082 10.6747 10.6747 10.8362 10.8362 11.0592 11.0592 11.6764 11.6764 11.9392 11.9392 12.1235 12.1235 13.0917 13.0917 13.2805 13.2805 k = 0.0000 0.2875 0.2934 ( 3848 PWs) bands (ev): -31.0432 -31.0432 -31.0205 -31.0205 -12.1032 -12.1032 -12.0315 -12.0315 -10.7230 -10.7230 -10.6880 -10.6880 -10.5840 -10.5840 -10.5445 -10.5445 2.4368 2.4368 3.5460 3.5460 6.8035 6.8035 7.4693 7.4693 8.1342 8.1342 8.5158 8.5158 8.5549 8.5549 9.0290 9.0290 9.3680 9.3680 10.0451 10.0451 10.3345 10.3345 10.5745 10.5745 10.6418 10.6418 10.8101 10.8101 11.0796 11.0796 11.6882 11.6882 11.9249 11.9249 12.0802 12.0802 13.0619 13.0619 13.1904 13.1904 k = 0.0000 0.3000 0.2934 ( 3844 PWs) bands (ev): -31.0424 -31.0424 -31.0209 -31.0209 -12.1028 -12.1028 -12.0347 -12.0347 -10.7248 -10.7248 -10.6898 -10.6898 -10.5848 -10.5848 -10.5452 -10.5452 2.4878 2.4878 3.5672 3.5672 6.7613 6.7613 7.4701 7.4701 8.1251 8.1251 8.5230 8.5230 8.5572 8.5572 8.9990 8.9990 9.3944 9.3944 10.0299 10.0299 10.3374 10.3374 10.5401 10.5401 10.6083 10.6083 10.7815 10.7815 11.1020 11.1020 11.6990 11.6990 11.9099 11.9099 12.0396 12.0396 13.0281 13.0281 13.1000 13.1000 k = 0.0000 0.3125 0.2934 ( 3838 PWs) bands (ev): -31.0415 -31.0415 -31.0212 -31.0212 -12.1024 -12.1024 -12.0380 -12.0380 -10.7264 -10.7264 -10.6917 -10.6917 -10.5853 -10.5853 -10.5459 -10.5459 2.5401 2.5401 3.5859 3.5859 6.7209 6.7209 7.4600 7.4600 8.1256 8.1256 8.5322 8.5322 8.5609 8.5609 8.9696 8.9696 9.4218 9.4218 10.0171 10.0171 10.3381 10.3381 10.5053 10.5053 10.5744 10.5744 10.7514 10.7514 11.1257 11.1257 11.7084 11.7084 11.8947 11.8947 12.0018 12.0018 12.9903 12.9903 13.0124 13.0124 k = 0.0000 0.3250 0.2934 ( 3836 PWs) bands (ev): -31.0407 -31.0407 -31.0216 -31.0216 -12.1018 -12.1018 -12.0414 -12.0414 -10.7279 -10.7279 -10.6938 -10.6938 -10.5855 -10.5855 -10.5467 -10.5467 2.5937 2.5937 3.6016 3.6016 6.6831 6.6831 7.4390 7.4390 8.1359 8.1359 8.5417 8.5417 8.5671 8.5671 8.9411 8.9411 9.4500 9.4500 10.0070 10.0070 10.3365 10.3365 10.4702 10.4702 10.5405 10.5405 10.7202 10.7202 11.1501 11.1501 11.7162 11.7162 11.8793 11.8793 11.9666 11.9666 12.9239 12.9239 12.9548 12.9548 k = 0.0000 0.3375 0.2934 ( 3836 PWs) bands (ev): -31.0399 -31.0399 -31.0220 -31.0220 -12.1012 -12.1012 -12.0447 -12.0447 -10.7292 -10.7292 -10.6961 -10.6961 -10.5854 -10.5854 -10.5477 -10.5477 2.6483 2.6483 3.6138 3.6138 6.6487 6.6487 7.4078 7.4078 8.1552 8.1552 8.5494 8.5494 8.5772 8.5772 8.9134 8.9134 9.4791 9.4791 9.9995 9.9995 10.3320 10.3320 10.4353 10.4353 10.5071 10.5071 10.6884 10.6884 11.1749 11.1749 11.7220 11.7220 11.8640 11.8640 11.9343 11.9343 12.8439 12.8439 12.9143 12.9143 k = 0.0000 0.3500 0.2934 ( 3836 PWs) bands (ev): -31.0391 -31.0391 -31.0225 -31.0225 -12.1005 -12.1005 -12.0480 -12.0480 -10.7303 -10.7303 -10.6985 -10.6985 -10.5850 -10.5850 -10.5487 -10.5487 2.7039 2.7039 3.6223 3.6223 6.6186 6.6186 7.3680 7.3680 8.1821 8.1821 8.5552 8.5552 8.5907 8.5907 8.8866 8.8866 9.5091 9.5091 9.9944 9.9944 10.3237 10.3237 10.4012 10.4012 10.4749 10.4749 10.6561 10.6561 11.2001 11.2001 11.7252 11.7252 11.8491 11.8491 11.9048 11.9048 12.7691 12.7691 12.8739 12.8739 k = 0.0000 0.3625 0.2934 ( 3832 PWs) bands (ev): -31.0382 -31.0382 -31.0229 -31.0229 -12.0996 -12.0996 -12.0512 -12.0512 -10.7312 -10.7312 -10.7010 -10.7010 -10.5843 -10.5843 -10.5499 -10.5499 2.7602 2.7602 3.6266 3.6266 6.5935 6.5935 7.3214 7.3214 8.2149 8.2149 8.5601 8.5601 8.6058 8.6058 8.8609 8.8609 9.5400 9.5400 9.9920 9.9920 10.3099 10.3099 10.3695 10.3695 10.4448 10.4448 10.6238 10.6238 11.2255 11.2255 11.7255 11.7255 11.8347 11.8347 11.8781 11.8781 12.7010 12.7010 12.8335 12.8335 k = 0.0000 0.3750 0.2934 ( 3836 PWs) bands (ev): -31.0374 -31.0374 -31.0234 -31.0234 -12.0987 -12.0987 -12.0545 -12.0545 -10.7319 -10.7319 -10.7036 -10.7036 -10.5835 -10.5835 -10.5511 -10.5511 2.8171 2.8171 3.6263 3.6263 6.5739 6.5739 7.2698 7.2698 8.2520 8.2520 8.5650 8.5650 8.6211 8.6211 8.8362 8.8362 9.5716 9.5716 9.9918 9.9918 10.2882 10.2882 10.3413 10.3413 10.4180 10.4180 10.5918 10.5918 11.2511 11.2511 11.7224 11.7224 11.8208 11.8208 11.8542 11.8542 12.6406 12.6406 12.7937 12.7937 k = 0.0000 0.3875 0.2934 ( 3836 PWs) bands (ev): -31.0366 -31.0366 -31.0239 -31.0239 -12.0976 -12.0976 -12.0577 -12.0577 -10.7324 -10.7324 -10.7062 -10.7062 -10.5824 -10.5824 -10.5525 -10.5525 2.8744 2.8744 3.6212 3.6212 6.5603 6.5603 7.2147 7.2147 8.2919 8.2919 8.5701 8.5701 8.6356 8.6356 8.8127 8.8127 9.6039 9.6039 9.9940 9.9940 10.2590 10.2590 10.3159 10.3159 10.3960 10.3960 10.5603 10.5603 11.2768 11.2768 11.7157 11.7157 11.8076 11.8076 11.8330 11.8330 12.5886 12.5886 12.7548 12.7548 k = 0.0000 0.4000 0.2934 ( 3836 PWs) bands (ev): -31.0357 -31.0357 -31.0244 -31.0244 -12.0964 -12.0964 -12.0608 -12.0608 -10.7327 -10.7327 -10.7089 -10.7089 -10.5811 -10.5811 -10.5539 -10.5539 2.9318 2.9318 3.6112 3.6112 6.5530 6.5530 7.1573 7.1573 8.3334 8.3334 8.5757 8.5757 8.6484 8.6484 8.7902 8.7902 9.6370 9.6370 9.9982 9.9982 10.2252 10.2252 10.2905 10.2905 10.3791 10.3791 10.5298 10.5298 11.3028 11.3028 11.7053 11.7053 11.7950 11.7950 11.8142 11.8142 12.5455 12.5455 12.7171 12.7171 k = 0.0000 0.4125 0.2934 ( 3832 PWs) bands (ev): -31.0349 -31.0349 -31.0250 -31.0250 -12.0951 -12.0951 -12.0638 -12.0638 -10.7327 -10.7327 -10.7115 -10.7115 -10.5797 -10.5797 -10.5554 -10.5554 2.9891 2.9891 3.5961 3.5961 6.5523 6.5523 7.0988 7.0988 8.3754 8.3754 8.5819 8.5819 8.6588 8.6588 8.7689 8.7689 9.6708 9.6708 10.0044 10.0044 10.1893 10.1893 10.2643 10.2643 10.3666 10.3666 10.5006 10.5006 11.3289 11.3289 11.6913 11.6913 11.7832 11.7832 11.7977 11.7977 12.5116 12.5116 12.6809 12.6809 k = 0.0000 0.4250 0.2934 ( 3832 PWs) bands (ev): -31.0341 -31.0341 -31.0256 -31.0256 -12.0937 -12.0937 -12.0668 -12.0668 -10.7325 -10.7325 -10.7140 -10.7140 -10.5782 -10.5782 -10.5570 -10.5570 3.0461 3.0461 3.5760 3.5760 6.5582 6.5582 7.0399 7.0399 8.4171 8.4171 8.5888 8.5888 8.6661 8.6661 8.7489 8.7489 9.7052 9.7052 10.0123 10.0123 10.1524 10.1524 10.2376 10.2376 10.3574 10.3574 10.4731 10.4731 11.3554 11.3554 11.6739 11.6739 11.7725 11.7725 11.7833 11.7833 12.4866 12.4866 12.6464 12.6464 k = 0.0000 0.4375 0.2934 ( 3822 PWs) bands (ev): -31.0333 -31.0333 -31.0262 -31.0262 -12.0922 -12.0922 -12.0697 -12.0697 -10.7321 -10.7321 -10.7164 -10.7164 -10.5765 -10.5765 -10.5586 -10.5586 3.1024 3.1024 3.5511 3.5511 6.5707 6.5707 6.9817 6.9817 8.4575 8.4575 8.5964 8.5964 8.6697 8.6697 8.7301 8.7301 9.7402 9.7402 10.0216 10.0216 10.1155 10.1155 10.2114 10.2114 10.3510 10.3510 10.4474 10.4474 11.3822 11.3822 11.6534 11.6534 11.7631 11.7631 11.7709 11.7709 12.4703 12.4703 12.6138 12.6138 k = 0.0000 0.4500 0.2934 ( 3832 PWs) bands (ev): -31.0325 -31.0325 -31.0268 -31.0268 -12.0905 -12.0905 -12.0724 -12.0724 -10.7315 -10.7315 -10.7188 -10.7188 -10.5748 -10.5748 -10.5603 -10.5603 3.1578 3.1578 3.5214 3.5214 6.5896 6.5896 6.9247 6.9247 8.4960 8.4960 8.6047 8.6047 8.6692 8.6692 8.7125 8.7125 9.7756 9.7756 10.0308 10.0308 10.0799 10.0799 10.1860 10.1860 10.3470 10.3470 10.4241 10.4241 11.4094 11.4094 11.6302 11.6302 11.7552 11.7552 11.7606 11.7606 12.4618 12.4618 12.5834 12.5834 k = 0.0000 0.4625 0.2934 ( 3832 PWs) bands (ev): -31.0317 -31.0317 -31.0274 -31.0274 -12.0887 -12.0887 -12.0751 -12.0751 -10.7306 -10.7306 -10.7210 -10.7210 -10.5730 -10.5730 -10.5621 -10.5621 3.2118 3.2118 3.4874 3.4874 6.6147 6.6147 6.8696 6.8696 8.5316 8.5316 8.6137 8.6137 8.6643 8.6643 8.6962 8.6962 9.8117 9.8117 10.0269 10.0269 10.0590 10.0590 10.1621 10.1621 10.3458 10.3458 10.4035 10.4035 11.4370 11.4370 11.6048 11.6048 11.7491 11.7491 11.7526 11.7526 12.4603 12.4603 12.5555 12.5555 k = 0.0000 0.4750 0.2934 ( 3832 PWs) bands (ev): -31.0310 -31.0310 -31.0281 -31.0281 -12.0867 -12.0867 -12.0777 -12.0777 -10.7295 -10.7295 -10.7231 -10.7231 -10.5712 -10.5712 -10.5639 -10.5639 3.2642 3.2642 3.4493 3.4493 6.6455 6.6455 6.8173 6.8173 8.5638 8.5638 8.6227 8.6227 8.6557 8.6557 8.6810 8.6810 9.8481 9.8481 9.9955 9.9955 10.0672 10.0672 10.1396 10.1396 10.3475 10.3475 10.3858 10.3858 11.4649 11.4649 11.5779 11.5779 11.7447 11.7447 11.7468 11.7468 12.4650 12.4650 12.5303 12.5303 k = 0.0000 0.4875 0.2934 ( 3836 PWs) bands (ev): -31.0302 -31.0302 -31.0288 -31.0288 -12.0847 -12.0847 -12.0801 -12.0801 -10.7282 -10.7282 -10.7250 -10.7250 -10.5694 -10.5694 -10.5657 -10.5657 3.3146 3.3146 3.4075 3.4075 6.6816 6.6816 6.7681 6.7681 8.5917 8.5917 8.6267 8.6267 8.6486 8.6486 8.6669 8.6669 9.8849 9.8849 9.9590 9.9590 10.0822 10.0822 10.1187 10.1187 10.3521 10.3521 10.3712 10.3712 11.4932 11.4932 11.5500 11.5500 11.7421 11.7421 11.7431 11.7431 12.4750 12.4750 12.5082 12.5082 k = 0.0000 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0825 -12.0825 -12.0825 -12.0825 -10.7267 -10.7267 -10.7267 -10.7267 -10.5675 -10.5675 -10.5675 -10.5675 3.3625 3.3625 3.3625 3.3625 6.7227 6.7227 6.7227 6.7227 8.6142 8.6142 8.6142 8.6142 8.6546 8.6546 8.6546 8.6546 9.9219 9.9219 9.9219 9.9219 10.0996 10.0996 10.0996 10.0996 10.3600 10.3600 10.3600 10.3600 11.5217 11.5217 11.5217 11.5217 11.7416 11.7416 11.7416 11.7416 12.4896 12.4896 12.4896 12.4896 k = 0.0000 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0825 -12.0825 -12.0825 -12.0825 -10.7267 -10.7267 -10.7267 -10.7267 -10.5675 -10.5675 -10.5675 -10.5675 3.3625 3.3625 3.3625 3.3625 6.7227 6.7227 6.7227 6.7227 8.6142 8.6142 8.6142 8.6142 8.6546 8.6546 8.6546 8.6546 9.9219 9.9219 9.9219 9.9219 10.0996 10.0996 10.0996 10.0996 10.3600 10.3600 10.3600 10.3600 11.5217 11.5217 11.5217 11.5217 11.7416 11.7416 11.7416 11.7416 12.4896 12.4896 12.4896 12.4896 k = 0.0125 0.5000 0.2934 ( 3844 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0825 -12.0825 -12.0825 -12.0825 -10.7286 -10.7286 -10.7248 -10.7248 -10.5695 -10.5695 -10.5658 -10.5658 3.3628 3.3628 3.3633 3.3633 6.7226 6.7226 6.7231 6.7231 8.6136 8.6136 8.6155 8.6155 8.6537 8.6537 8.6553 8.6553 9.9194 9.9194 9.9220 9.9220 10.0995 10.0995 10.1003 10.1003 10.3608 10.3608 10.3610 10.3610 11.5050 11.5050 11.5250 11.5250 11.7377 11.7377 11.7564 11.7564 12.4885 12.4885 12.4900 12.4900 k = 0.0250 0.5000 0.2934 ( 3844 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0827 -12.0827 -12.0825 -12.0825 -10.7304 -10.7304 -10.7229 -10.7229 -10.5718 -10.5718 -10.5642 -10.5642 3.3642 3.3642 3.3651 3.3651 6.7228 6.7228 6.7238 6.7238 8.6139 8.6139 8.6176 8.6176 8.6527 8.6527 8.6559 8.6559 9.9146 9.9146 9.9196 9.9196 10.1000 10.1000 10.1016 10.1016 10.3634 10.3634 10.3637 10.3637 11.4794 11.4794 11.5141 11.5141 11.7457 11.7457 11.7779 11.7779 12.4867 12.4867 12.4897 12.4897 k = 0.0375 0.5000 0.2934 ( 3840 PWs) bands (ev): -31.0294 -31.0294 -31.0294 -31.0294 -12.0828 -12.0828 -12.0826 -12.0826 -10.7322 -10.7322 -10.7210 -10.7210 -10.5742 -10.5742 -10.5629 -10.5629 3.3668 3.3668 3.3680 3.3680 6.7233 6.7233 6.7248 6.7248 8.6150 8.6150 8.6204 8.6204 8.6518 8.6518 8.6563 8.6563 9.9076 9.9076 9.9148 9.9148 10.1012 10.1012 10.1033 10.1033 10.3676 10.3676 10.3680 10.3680 11.4487 11.4487 11.4924 11.4924 11.7621 11.7621 11.8019 11.8019 12.4843 12.4843 12.4891 12.4891 k = 0.0500 0.5000 0.2934 ( 3840 PWs) bands (ev): -31.0294 -31.0294 -31.0294 -31.0294 -12.0831 -12.0831 -12.0828 -12.0828 -10.7340 -10.7340 -10.7191 -10.7191 -10.5769 -10.5769 -10.5619 -10.5619 3.3703 3.3703 3.3720 3.3720 6.7240 6.7240 6.7260 6.7260 8.6171 8.6171 8.6235 8.6235 8.6512 8.6512 8.6564 8.6564 9.8989 9.8989 9.9081 9.9081 10.1031 10.1031 10.1054 10.1054 10.3731 10.3731 10.3735 10.3735 11.4154 11.4154 11.4642 11.4642 11.7823 11.7823 11.8257 11.8257 12.4816 12.4816 12.4884 12.4884 k = 0.0625 0.5000 0.2934 ( 3832 PWs) bands (ev): -31.0293 -31.0293 -31.0293 -31.0293 -12.0834 -12.0834 -12.0831 -12.0831 -10.7358 -10.7358 -10.7172 -10.7172 -10.5798 -10.5798 -10.5610 -10.5610 3.3750 3.3750 3.3771 3.3771 6.7249 6.7249 6.7274 6.7274 8.6201 8.6201 8.6268 8.6268 8.6514 8.6514 8.6565 8.6565 9.8887 9.8887 9.8997 9.8997 10.1056 10.1056 10.1077 10.1077 10.3797 10.3797 10.3800 10.3800 11.3810 11.3810 11.4329 11.4329 11.8027 11.8027 11.8474 11.8474 12.4790 12.4790 12.4880 12.4880 k = 0.0750 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0292 -31.0292 -31.0292 -31.0292 -12.0837 -12.0837 -12.0834 -12.0834 -10.7376 -10.7376 -10.7154 -10.7154 -10.5829 -10.5829 -10.5604 -10.5604 3.3806 3.3806 3.3831 3.3831 6.7260 6.7260 6.7288 6.7288 8.6238 8.6238 8.6293 8.6293 8.6531 8.6531 8.6566 8.6566 9.8774 9.8774 9.8898 9.8898 10.1086 10.1086 10.1101 10.1101 10.3869 10.3869 10.3870 10.3870 11.3467 11.3467 11.4003 11.4003 11.8212 11.8212 11.8655 11.8655 12.4768 12.4768 12.4882 12.4882 k = 0.0875 0.5000 0.2934 ( 3828 PWs) bands (ev): -31.0291 -31.0291 -31.0291 -31.0291 -12.0842 -12.0842 -12.0837 -12.0837 -10.7393 -10.7393 -10.7135 -10.7135 -10.5861 -10.5861 -10.5601 -10.5601 3.3873 3.3873 3.3902 3.3902 6.7270 6.7270 6.7303 6.7303 8.6282 8.6282 8.6306 8.6306 8.6570 8.6570 8.6572 8.6572 9.8654 9.8654 9.8790 9.8790 10.1119 10.1119 10.1127 10.1127 10.3943 10.3943 10.3944 10.3944 11.3131 11.3131 11.3678 11.3678 11.8362 11.8362 11.8793 11.8793 12.4753 12.4753 12.4895 12.4895 k = 0.1000 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0289 -31.0289 -31.0289 -31.0289 -12.0846 -12.0846 -12.0841 -12.0841 -10.7409 -10.7409 -10.7117 -10.7117 -10.5895 -10.5895 -10.5599 -10.5599 3.3949 3.3949 3.3982 3.3982 6.7280 6.7280 6.7317 6.7317 8.6305 8.6305 8.6324 8.6324 8.6585 8.6585 8.6637 8.6637 9.8527 9.8527 9.8675 9.8675 10.1153 10.1153 10.1153 10.1153 10.4014 10.4014 10.4018 10.4018 11.2808 11.2808 11.3359 11.3359 11.8468 11.8468 11.8879 11.8879 12.4747 12.4747 12.4920 12.4920 k = 0.1125 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0288 -31.0288 -31.0288 -31.0288 -12.0852 -12.0852 -12.0846 -12.0846 -10.7426 -10.7426 -10.7098 -10.7098 -10.5931 -10.5931 -10.5600 -10.5600 3.4035 3.4035 3.4071 3.4071 6.7289 6.7289 6.7329 6.7329 8.6295 8.6295 8.6357 8.6357 8.6621 8.6621 8.6724 8.6724 9.8400 9.8400 9.8558 9.8558 10.1178 10.1178 10.1189 10.1189 10.4082 10.4082 10.4089 10.4089 11.2501 11.2501 11.3054 11.3054 11.8523 11.8523 11.8910 11.8910 12.4752 12.4752 12.4955 12.4955 k = 0.1250 0.5000 0.2934 ( 3832 PWs) bands (ev): -31.0286 -31.0286 -31.0286 -31.0286 -12.0857 -12.0857 -12.0851 -12.0851 -10.7442 -10.7442 -10.7080 -10.7080 -10.5967 -10.5967 -10.5602 -10.5602 3.4129 3.4129 3.4168 3.4168 6.7296 6.7296 6.7338 6.7338 8.6279 8.6279 8.6372 8.6372 8.6687 8.6687 8.6829 8.6829 9.8272 9.8272 9.8439 9.8439 10.1203 10.1203 10.1224 10.1224 10.4144 10.4144 10.4155 10.4155 11.2214 11.2214 11.2765 11.2765 11.8526 11.8526 11.8887 11.8887 12.4766 12.4766 12.5000 12.5000 k = 0.1375 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0285 -31.0285 -31.0285 -31.0285 -12.0863 -12.0863 -12.0857 -12.0857 -10.7457 -10.7457 -10.7063 -10.7063 -10.6005 -10.6005 -10.5607 -10.5607 3.4231 3.4231 3.4274 3.4274 6.7299 6.7299 6.7344 6.7344 8.6260 8.6260 8.6369 8.6369 8.6783 8.6783 8.6950 8.6950 9.8146 9.8146 9.8322 9.8322 10.1225 10.1225 10.1256 10.1256 10.4200 10.4200 10.4214 10.4214 11.1948 11.1948 11.2495 11.2495 11.8475 11.8475 11.8812 11.8812 12.4786 12.4786 12.5048 12.5048 k = 0.1500 0.5000 0.2934 ( 3840 PWs) bands (ev): -31.0283 -31.0283 -31.0283 -31.0283 -12.0870 -12.0870 -12.0863 -12.0863 -10.7472 -10.7472 -10.7046 -10.7046 -10.6043 -10.6043 -10.5614 -10.5614 3.4341 3.4341 3.4387 3.4387 6.7298 6.7298 6.7345 6.7345 8.6240 8.6240 8.6356 8.6356 8.6903 8.6903 8.7087 8.7087 9.8024 9.8024 9.8207 9.8207 10.1244 10.1244 10.1284 10.1284 10.4248 10.4248 10.4265 10.4265 11.1704 11.1704 11.2246 11.2246 11.8374 11.8374 11.8688 11.8688 12.4806 12.4806 12.5093 12.5093 k = 0.1625 0.5000 0.2934 ( 3832 PWs) bands (ev): -31.0281 -31.0281 -31.0281 -31.0281 -12.0877 -12.0877 -12.0870 -12.0870 -10.7486 -10.7486 -10.7030 -10.7030 -10.6082 -10.6082 -10.5622 -10.5622 3.4458 3.4458 3.4506 3.4506 6.7292 6.7292 6.7341 6.7341 8.6219 8.6219 8.6337 8.6337 8.7044 8.7044 8.7240 8.7240 9.7909 9.7909 9.8099 9.8099 10.1258 10.1258 10.1306 10.1306 10.4290 10.4290 10.4309 10.4309 11.1483 11.1483 11.2019 11.2019 11.8227 11.8227 11.8521 11.8521 12.4820 12.4820 12.5128 12.5128 k = 0.1750 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0279 -31.0279 -31.0279 -31.0279 -12.0885 -12.0885 -12.0877 -12.0877 -10.7499 -10.7499 -10.7015 -10.7015 -10.6121 -10.6121 -10.5632 -10.5632 3.4582 3.4582 3.4632 3.4632 6.7281 6.7281 6.7330 6.7330 8.6198 8.6198 8.6313 8.6313 8.7203 8.7203 8.7407 8.7407 9.7799 9.7799 9.7995 9.7995 10.1264 10.1264 10.1318 10.1318 10.4327 10.4327 10.4346 10.4346 11.1284 11.1284 11.1812 11.1812 11.8041 11.8041 11.8317 11.8317 12.4822 12.4822 12.5147 12.5147 k = 0.1875 0.5000 0.2934 ( 3844 PWs) bands (ev): -31.0277 -31.0277 -31.0277 -31.0277 -12.0892 -12.0892 -12.0885 -12.0885 -10.7512 -10.7512 -10.7001 -10.7001 -10.6159 -10.6159 -10.5644 -10.5644 3.4711 3.4711 3.4764 3.4764 6.7264 6.7264 6.7313 6.7313 8.6176 8.6176 8.6286 8.6286 8.7380 8.7380 8.7590 8.7590 9.7698 9.7698 9.7899 9.7899 10.1263 10.1263 10.1320 10.1320 10.4362 10.4362 10.4378 10.4378 11.1106 11.1106 11.1625 11.1625 11.7819 11.7819 11.8082 11.8082 12.4807 12.4807 12.5143 12.5143 k = 0.2000 0.5000 0.2934 ( 3852 PWs) bands (ev): -31.0274 -31.0274 -31.0274 -31.0274 -12.0901 -12.0901 -12.0893 -12.0893 -10.7524 -10.7524 -10.6988 -10.6988 -10.6197 -10.6197 -10.5657 -10.5657 3.4845 3.4845 3.4900 3.4900 6.7240 6.7240 6.7290 6.7290 8.6156 8.6156 8.6258 8.6258 8.7572 8.7572 8.7786 8.7786 9.7606 9.7606 9.7811 9.7811 10.1251 10.1251 10.1309 10.1309 10.4397 10.4397 10.4408 10.4408 11.0946 11.0946 11.1456 11.1456 11.7568 11.7568 11.7821 11.7821 12.4771 12.4771 12.5114 12.5114 k = 0.2125 0.5000 0.2934 ( 3852 PWs) bands (ev): -31.0272 -31.0272 -31.0272 -31.0272 -12.0909 -12.0909 -12.0901 -12.0901 -10.7535 -10.7535 -10.6978 -10.6978 -10.6234 -10.6234 -10.5671 -10.5671 3.4984 3.4984 3.5039 3.5039 6.7211 6.7211 6.7260 6.7260 8.6136 8.6136 8.6230 8.6230 8.7780 8.7780 8.7996 8.7996 9.7524 9.7524 9.7733 9.7733 10.1228 10.1228 10.1284 10.1284 10.4436 10.4436 10.4439 10.4439 11.0802 11.0802 11.1302 11.1302 11.7294 11.7294 11.7539 11.7539 12.4712 12.4712 12.5058 12.5058 k = 0.2250 0.5000 0.2934 ( 3852 PWs) bands (ev): -31.0270 -31.0270 -31.0270 -31.0270 -12.0918 -12.0918 -12.0909 -12.0909 -10.7545 -10.7545 -10.6969 -10.6969 -10.6268 -10.6268 -10.5687 -10.5687 3.5125 3.5125 3.5182 3.5182 6.7174 6.7174 6.7223 6.7223 8.6116 8.6116 8.6200 8.6200 8.8000 8.8000 8.8217 8.8217 9.7453 9.7453 9.7664 9.7664 10.1192 10.1192 10.1242 10.1242 10.4473 10.4473 10.4482 10.4482 11.0672 11.0672 11.1162 11.1162 11.7000 11.7000 11.7240 11.7240 12.4630 12.4630 12.4974 12.4974 k = 0.2375 0.5000 0.2934 ( 3852 PWs) bands (ev): -31.0268 -31.0268 -31.0268 -31.0268 -12.0926 -12.0926 -12.0918 -12.0918 -10.7554 -10.7554 -10.6963 -10.6963 -10.6300 -10.6300 -10.5704 -10.5704 3.5270 3.5270 3.5327 3.5327 6.7132 6.7132 6.7179 6.7179 8.6098 8.6098 8.6172 8.6172 8.8232 8.8232 8.8448 8.8448 9.7393 9.7393 9.7604 9.7604 10.1143 10.1143 10.1184 10.1184 10.4513 10.4513 10.4536 10.4536 11.0552 11.0552 11.1033 11.1033 11.6690 11.6690 11.6927 11.6927 12.4525 12.4525 12.4864 12.4864 k = 0.2500 0.5000 0.2934 ( 3848 PWs) bands (ev): -31.0265 -31.0265 -31.0265 -31.0265 -12.0935 -12.0935 -12.0927 -12.0927 -10.7562 -10.7562 -10.6960 -10.6960 -10.6329 -10.6329 -10.5722 -10.5722 3.5416 3.5416 3.5474 3.5474 6.7085 6.7085 6.7130 6.7130 8.6080 8.6080 8.6144 8.6144 8.8474 8.8474 8.8688 8.8688 9.7344 9.7344 9.7556 9.7556 10.1080 10.1080 10.1110 10.1110 10.4560 10.4560 10.4601 10.4601 11.0440 11.0440 11.0911 11.0911 11.6369 11.6369 11.6605 11.6605 12.4401 12.4401 12.4731 12.4731 k = 0.2625 0.5000 0.2934 ( 3860 PWs) bands (ev): -31.0263 -31.0263 -31.0263 -31.0263 -12.0944 -12.0944 -12.0936 -12.0936 -10.7569 -10.7569 -10.6961 -10.6961 -10.6354 -10.6354 -10.5741 -10.5741 3.5562 3.5562 3.5620 3.5620 6.7032 6.7032 6.7075 6.7075 8.6064 8.6064 8.6117 8.6117 8.8722 8.8722 8.8933 8.8933 9.7307 9.7307 9.7517 9.7517 10.1003 10.1003 10.1021 10.1021 10.4617 10.4617 10.4677 10.4677 11.0333 11.0333 11.0795 11.0795 11.6039 11.6039 11.6275 11.6275 12.4262 12.4262 12.4581 12.4581 k = 0.2750 0.5000 0.2934 ( 3864 PWs) bands (ev): -31.0261 -31.0261 -31.0261 -31.0261 -12.0953 -12.0953 -12.0945 -12.0945 -10.7575 -10.7575 -10.6966 -10.6966 -10.6375 -10.6375 -10.5761 -10.5761 3.5709 3.5709 3.5767 3.5767 6.6974 6.6974 6.7015 6.7015 8.6049 8.6049 8.6092 8.6092 8.8976 8.8976 8.9182 8.9182 9.7282 9.7282 9.7490 9.7490 10.0915 10.0915 10.0918 10.0918 10.4683 10.4683 10.4763 10.4763 11.0230 11.0230 11.0683 11.0683 11.5704 11.5704 11.5940 11.5940 12.4112 12.4112 12.4417 12.4417 k = 0.2875 0.5000 0.2934 ( 3860 PWs) bands (ev): -31.0258 -31.0258 -31.0258 -31.0258 -12.0962 -12.0962 -12.0954 -12.0954 -10.7580 -10.7580 -10.6976 -10.6976 -10.6391 -10.6391 -10.5782 -10.5782 3.5854 3.5854 3.5911 3.5911 6.6913 6.6913 6.6952 6.6952 8.6035 8.6035 8.6069 8.6069 8.9232 8.9232 8.9433 8.9433 9.7270 9.7270 9.7474 9.7474 10.0805 10.0805 10.0815 10.0815 10.4759 10.4759 10.4860 10.4860 11.0130 11.0130 11.0574 11.0574 11.5367 11.5367 11.5603 11.5603 12.3956 12.3956 12.4246 12.4246 k = 0.3000 0.5000 0.2934 ( 3848 PWs) bands (ev): -31.0256 -31.0256 -31.0256 -31.0256 -12.0971 -12.0971 -12.0963 -12.0963 -10.7583 -10.7583 -10.6989 -10.6989 -10.6401 -10.6401 -10.5803 -10.5803 3.5998 3.5998 3.6054 3.6054 6.6849 6.6849 6.6885 6.6885 8.6023 8.6023 8.6048 8.6048 8.9488 8.9488 8.9681 8.9681 9.7271 9.7271 9.7469 9.7469 10.0682 10.0682 10.0707 10.0707 10.4844 10.4844 10.4966 10.4966 11.0030 11.0030 11.0466 11.0466 11.5030 11.5030 11.5267 11.5267 12.3800 12.3800 12.4073 12.4073 k = 0.3125 0.5000 0.2934 ( 3856 PWs) bands (ev): -31.0254 -31.0254 -31.0254 -31.0254 -12.0979 -12.0979 -12.0972 -12.0972 -10.7585 -10.7585 -10.7007 -10.7007 -10.6407 -10.6407 -10.5825 -10.5825 3.6138 3.6138 3.6193 3.6193 6.6784 6.6784 6.6817 6.6817 8.6013 8.6013 8.6029 8.6029 8.9741 8.9741 8.9925 8.9925 9.7282 9.7282 9.7475 9.7475 10.0551 10.0551 10.0590 10.0590 10.4935 10.4935 10.5077 10.5077 10.9932 10.9932 11.0358 11.0358 11.4696 11.4696 11.4933 11.4933 12.3646 12.3646 12.3902 12.3902 k = 0.3250 0.5000 0.2934 ( 3868 PWs) bands (ev): -31.0252 -31.0252 -31.0252 -31.0252 -12.0988 -12.0988 -12.0981 -12.0981 -10.7585 -10.7585 -10.7029 -10.7029 -10.6409 -10.6409 -10.5847 -10.5847 3.6275 3.6275 3.6328 3.6328 6.6717 6.6717 6.6748 6.6748 8.6004 8.6004 8.6013 8.6013 8.9987 8.9987 9.0162 9.0162 9.7306 9.7306 9.7492 9.7492 10.0414 10.0414 10.0467 10.0467 10.5033 10.5033 10.5192 10.5192 10.9834 10.9834 11.0251 11.0251 11.4369 11.4369 11.4604 11.4604 12.3499 12.3499 12.3737 12.3737 k = 0.3375 0.5000 0.2934 ( 3868 PWs) bands (ev): -31.0250 -31.0250 -31.0250 -31.0250 -12.0996 -12.0996 -12.0989 -12.0989 -10.7584 -10.7584 -10.7053 -10.7053 -10.6406 -10.6406 -10.5870 -10.5870 3.6407 3.6407 3.6458 3.6458 6.6650 6.6650 6.6679 6.6679 8.5997 8.5997 8.5999 8.5999 9.0225 9.0225 9.0390 9.0390 9.7342 9.7342 9.7520 9.7520 10.0275 10.0275 10.0341 10.0341 10.5135 10.5135 10.5310 10.5310 10.9738 10.9738 11.0145 11.0145 11.4050 11.4050 11.4283 11.4283 12.3361 12.3361 12.3580 12.3580 k = 0.3500 0.5000 0.2934 ( 3864 PWs) bands (ev): -31.0248 -31.0248 -31.0248 -31.0248 -12.1004 -12.1004 -12.0997 -12.0997 -10.7582 -10.7582 -10.7080 -10.7080 -10.6399 -10.6399 -10.5893 -10.5893 3.6534 3.6534 3.6583 3.6583 6.6585 6.6585 6.6610 6.6610 8.5988 8.5988 8.5991 8.5991 9.0453 9.0453 9.0605 9.0605 9.7388 9.7388 9.7560 9.7560 10.0134 10.0134 10.0211 10.0211 10.5240 10.5240 10.5427 10.5427 10.9644 10.9644 11.0040 11.0040 11.3744 11.3744 11.3974 11.3974 12.3235 12.3235 12.3435 12.3435 k = 0.3625 0.5000 0.2934 ( 3864 PWs) bands (ev): -31.0246 -31.0246 -31.0246 -31.0246 -12.1011 -12.1011 -12.1005 -12.1005 -10.7578 -10.7578 -10.7109 -10.7109 -10.6390 -10.6390 -10.5917 -10.5917 3.6654 3.6654 3.6700 3.6700 6.6521 6.6521 6.6544 6.6544 8.5979 8.5979 8.5987 8.5987 9.0667 9.0667 9.0807 9.0807 9.7445 9.7445 9.7609 9.7609 9.9992 9.9992 10.0080 10.0080 10.5347 10.5347 10.5543 10.5543 10.9554 10.9554 10.9937 10.9937 11.3454 11.3454 11.3678 11.3678 12.3121 12.3121 12.3302 12.3302 k = 0.3750 0.5000 0.2934 ( 3868 PWs) bands (ev): -31.0244 -31.0244 -31.0244 -31.0244 -12.1018 -12.1018 -12.1013 -12.1013 -10.7572 -10.7572 -10.7139 -10.7139 -10.6378 -10.6378 -10.5941 -10.5941 3.6767 3.6767 3.6810 3.6810 6.6459 6.6459 6.6480 6.6480 8.5973 8.5973 8.5984 8.5984 9.0866 9.0866 9.0993 9.0993 9.7511 9.7511 9.7668 9.7668 9.9850 9.9850 9.9948 9.9948 10.5452 10.5452 10.5655 10.5655 10.9467 10.9467 10.9835 10.9835 11.3182 11.3182 11.3398 11.3398 12.3019 12.3019 12.3182 12.3182 k = 0.3875 0.5000 0.2934 ( 3864 PWs) bands (ev): -31.0243 -31.0243 -31.0243 -31.0243 -12.1025 -12.1025 -12.1019 -12.1019 -10.7565 -10.7565 -10.7170 -10.7170 -10.6363 -10.6363 -10.5965 -10.5965 3.6872 3.6872 3.6912 3.6912 6.6402 6.6402 6.6420 6.6420 8.5969 8.5969 8.5982 8.5982 9.1049 9.1049 9.1162 9.1162 9.7585 9.7585 9.7736 9.7736 9.9710 9.9710 9.9816 9.9816 10.5556 10.5556 10.5760 10.5760 10.9386 10.9386 10.9736 10.9736 11.2932 11.2932 11.3139 11.3139 12.2931 12.2931 12.3076 12.3076 k = 0.4000 0.5000 0.2934 ( 3872 PWs) bands (ev): -31.0241 -31.0241 -31.0241 -31.0241 -12.1030 -12.1030 -12.1026 -12.1026 -10.7556 -10.7556 -10.7201 -10.7201 -10.6347 -10.6347 -10.5989 -10.5989 3.6968 3.6968 3.7004 3.7004 6.6348 6.6348 6.6364 6.6364 8.5967 8.5967 8.5981 8.5981 9.1214 9.1214 9.1313 9.1313 9.7666 9.7666 9.7811 9.7811 9.9571 9.9571 9.9685 9.9685 10.5656 10.5656 10.5857 10.5857 10.9309 10.9309 10.9639 10.9639 11.2707 11.2707 11.2900 11.2900 12.2856 12.2856 12.2983 12.2983 k = 0.4125 0.5000 0.2934 ( 3868 PWs) bands (ev): -31.0240 -31.0240 -31.0240 -31.0240 -12.1036 -12.1036 -12.1032 -12.1032 -10.7546 -10.7546 -10.7232 -10.7232 -10.6330 -10.6330 -10.6013 -10.6013 3.7055 3.7055 3.7087 3.7087 6.6299 6.6299 6.6313 6.6313 8.5966 8.5966 8.5981 8.5981 9.1361 9.1361 9.1446 9.1446 9.7754 9.7754 9.7894 9.7894 9.9435 9.9435 9.9555 9.9555 10.5752 10.5752 10.5946 10.5946 10.9240 10.9240 10.9545 10.9545 11.2508 11.2508 11.2686 11.2686 12.2793 12.2793 12.2903 12.2903 k = 0.4250 0.5000 0.2934 ( 3868 PWs) bands (ev): -31.0239 -31.0239 -31.0239 -31.0239 -12.1040 -12.1040 -12.1037 -12.1037 -10.7533 -10.7533 -10.7263 -10.7263 -10.6311 -10.6311 -10.6038 -10.6038 3.7132 3.7132 3.7160 3.7160 6.6256 6.6256 6.6267 6.6267 8.5966 8.5966 8.5981 8.5981 9.1488 9.1488 9.1561 9.1561 9.7846 9.7846 9.7983 9.7983 9.9303 9.9303 9.9427 9.9427 10.5843 10.5843 10.6023 10.6023 10.9179 10.9179 10.9454 10.9454 11.2339 11.2339 11.2498 11.2498 12.2741 12.2741 12.2835 12.2835 k = 0.4375 0.5000 0.2934 ( 3868 PWs) bands (ev): -31.0238 -31.0238 -31.0238 -31.0238 -12.1044 -12.1044 -12.1041 -12.1041 -10.7519 -10.7519 -10.7292 -10.7292 -10.6291 -10.6291 -10.6062 -10.6062 3.7198 3.7198 3.7222 3.7222 6.6219 6.6219 6.6228 6.6228 8.5968 8.5968 8.5981 8.5981 9.1597 9.1597 9.1656 9.1656 9.7943 9.7943 9.8076 9.8076 9.9174 9.9174 9.9301 9.9301 10.5926 10.5926 10.6088 10.6088 10.9127 10.9127 10.9367 10.9367 11.2199 11.2199 11.2336 11.2336 12.2700 12.2700 12.2777 12.2777 k = 0.4500 0.5000 0.2934 ( 3864 PWs) bands (ev): -31.0237 -31.0237 -31.0237 -31.0237 -12.1047 -12.1047 -12.1045 -12.1045 -10.7504 -10.7504 -10.7321 -10.7321 -10.6270 -10.6270 -10.6086 -10.6086 3.7254 3.7254 3.7273 3.7273 6.6188 6.6188 6.6195 6.6195 8.5970 8.5970 8.5982 8.5982 9.1687 9.1687 9.1733 9.1733 9.8042 9.8042 9.8171 9.8171 9.9052 9.9052 9.9178 9.9178 10.6001 10.6001 10.6139 10.6139 10.9085 10.9085 10.9286 10.9286 11.2089 11.2089 11.2202 11.2202 12.2670 12.2670 12.2731 12.2731 k = 0.4625 0.5000 0.2934 ( 3860 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1050 -12.1050 -12.1048 -12.1048 -10.7486 -10.7486 -10.7349 -10.7349 -10.6249 -10.6249 -10.6110 -10.6110 3.7298 3.7298 3.7312 3.7312 6.6163 6.6163 6.6169 6.6169 8.5973 8.5973 8.5982 8.5982 9.1757 9.1757 9.1792 9.1792 9.8143 9.8143 9.8266 9.8266 9.8937 9.8937 9.9060 9.9060 10.6067 10.6067 10.6176 10.6176 10.9057 10.9057 10.9212 10.9212 11.2008 11.2008 11.2095 11.2095 12.2648 12.2648 12.2694 12.2694 k = 0.4750 0.5000 0.2934 ( 3852 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1051 -12.1051 -12.1050 -12.1050 -10.7467 -10.7467 -10.7376 -10.7376 -10.6227 -10.6227 -10.6134 -10.6134 3.7330 3.7330 3.7340 3.7340 6.6146 6.6146 6.6150 6.6150 8.5975 8.5975 8.5981 8.5981 9.1809 9.1809 9.1832 9.1832 9.8242 9.8242 9.8351 9.8351 9.8838 9.8838 9.8948 9.8948 10.6122 10.6122 10.6198 10.6198 10.9042 10.9042 10.9149 10.9149 11.1956 11.1956 11.2015 11.2015 12.2636 12.2636 12.2666 12.2666 k = 0.4875 0.5000 0.2934 ( 3856 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1052 -12.1052 -12.1052 -12.1052 -10.7447 -10.7447 -10.7401 -10.7401 -10.6204 -10.6204 -10.6158 -10.6158 3.7351 3.7351 3.7356 3.7356 6.6136 6.6136 6.6138 6.6138 8.5977 8.5977 8.5981 8.5981 9.1842 9.1842 9.1854 9.1854 9.8333 9.8333 9.8407 9.8407 9.8774 9.8774 9.8849 9.8849 10.6164 10.6164 10.6202 10.6202 10.9044 10.9044 10.9098 10.9098 11.1931 11.1931 11.1961 11.1961 12.2631 12.2631 12.2646 12.2646 k = 0.5000 0.5000 0.2934 ( 3848 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7424 -10.7424 -10.7424 -10.7424 -10.6181 -10.6181 -10.6181 -10.6181 3.7360 3.7360 3.7360 3.7360 6.6133 6.6133 6.6133 6.6133 8.5979 8.5979 8.5979 8.5979 9.1857 9.1857 9.1857 9.1857 9.8400 9.8400 9.8400 9.8400 9.8780 9.8780 9.8780 9.8780 10.6191 10.6191 10.6191 10.6191 10.9063 10.9063 10.9063 10.9063 11.1933 11.1933 11.1933 11.1933 12.2635 12.2635 12.2635 12.2635 k = 0.5000 0.5000 0.2934 ( 3848 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7424 -10.7424 -10.7424 -10.7424 -10.6181 -10.6181 -10.6181 -10.6181 3.7360 3.7360 3.7360 3.7360 6.6133 6.6133 6.6133 6.6133 8.5979 8.5979 8.5979 8.5979 9.1857 9.1857 9.1857 9.1857 9.8400 9.8400 9.8400 9.8400 9.8780 9.8780 9.8780 9.8780 10.6191 10.6191 10.6191 10.6191 10.9063 10.9063 10.9063 10.9063 11.1933 11.1933 11.1933 11.1933 12.2635 12.2635 12.2635 12.2635 k = 0.4911 0.4911 0.2934 ( 3858 PWs) bands (ev): -31.0236 -31.0236 -31.0235 -31.0235 -12.1052 -12.1052 -12.1051 -12.1051 -10.7447 -10.7447 -10.7400 -10.7400 -10.6204 -10.6204 -10.6157 -10.6157 3.7344 3.7344 3.7362 3.7362 6.6127 6.6127 6.6147 6.6147 8.5959 8.5959 8.5999 8.5999 9.1841 9.1841 9.1854 9.1854 9.8319 9.8319 9.8424 9.8424 9.8764 9.8764 9.8856 9.8856 10.6158 10.6158 10.6208 10.6208 10.9042 10.9042 10.9100 10.9100 11.1930 11.1930 11.1963 11.1963 12.2630 12.2630 12.2648 12.2648 k = 0.4821 0.4821 0.2934 ( 3858 PWs) bands (ev): -31.0236 -31.0236 -31.0235 -31.0235 -12.1053 -12.1053 -12.1049 -12.1049 -10.7468 -10.7468 -10.7375 -10.7375 -10.6227 -10.6227 -10.6133 -10.6133 3.7300 3.7300 3.7369 3.7369 6.6111 6.6111 6.6187 6.6187 8.5900 8.5900 8.6056 8.6056 9.1803 9.1803 9.1837 9.1837 9.8179 9.8179 9.8442 9.8442 9.8783 9.8783 9.8974 9.8974 10.6088 10.6088 10.6234 10.6234 10.9029 10.9029 10.9159 10.9159 11.1948 11.1948 11.2027 11.2027 12.2627 12.2627 12.2675 12.2675 k = 0.4732 0.4732 0.2934 ( 3858 PWs) bands (ev): -31.0238 -31.0238 -31.0235 -31.0235 -12.1053 -12.1053 -12.1045 -12.1045 -10.7487 -10.7487 -10.7348 -10.7348 -10.6249 -10.6249 -10.6109 -10.6109 3.7227 3.7227 3.7380 3.7380 6.6085 6.6085 6.6253 6.6253 8.5800 8.5800 8.6147 8.6147 9.1742 9.1742 9.1806 9.1806 9.8011 9.8011 9.8467 9.8467 9.8823 9.8823 9.9106 9.9106 10.5983 10.5983 10.6274 10.6274 10.9017 10.9017 10.9235 10.9235 11.1984 11.1984 11.2132 11.2132 12.2624 12.2624 12.2717 12.2717 k = 0.4643 0.4643 0.2934 ( 3858 PWs) bands (ev): -31.0239 -31.0239 -31.0235 -31.0235 -12.1053 -12.1053 -12.1039 -12.1039 -10.7504 -10.7504 -10.7320 -10.7320 -10.6271 -10.6271 -10.6085 -10.6085 3.7123 3.7123 3.7396 3.7396 6.6054 6.6054 6.6347 6.6347 8.5660 8.5660 8.6268 8.6268 9.1659 9.1659 9.1763 9.1763 9.7826 9.7826 9.8501 9.8501 9.8881 9.8881 9.9239 9.9239 10.5853 10.5853 10.6329 10.6329 10.9003 10.9003 10.9316 10.9316 11.2040 11.2040 11.2283 11.2283 12.2621 12.2621 12.2775 12.2775 k = 0.4554 0.4554 0.2934 ( 3858 PWs) bands (ev): -31.0241 -31.0241 -31.0234 -31.0234 -12.1053 -12.1053 -12.1031 -12.1031 -10.7520 -10.7520 -10.7291 -10.7291 -10.6293 -10.6293 -10.6060 -10.6060 3.6989 3.6989 3.7415 3.7415 6.6023 6.6023 6.6467 6.6467 8.5480 8.5480 8.6414 8.6414 9.1555 9.1555 9.1707 9.1707 9.7630 9.7630 9.8545 9.8545 9.8956 9.8956 9.9370 9.9370 10.5708 10.5708 10.6399 10.6399 10.8987 10.8987 10.9392 10.9392 11.2120 11.2120 11.2482 11.2482 12.2616 12.2616 12.2849 12.2849 k = 0.4464 0.4464 0.2934 ( 3864 PWs) bands (ev): -31.0244 -31.0244 -31.0234 -31.0234 -12.1054 -12.1054 -12.1022 -12.1022 -10.7533 -10.7533 -10.7260 -10.7260 -10.6313 -10.6313 -10.6035 -10.6035 3.6825 3.6825 3.7437 3.7437 6.5994 6.5994 6.6613 6.6613 8.5260 8.5260 8.6575 8.6575 9.1432 9.1432 9.1639 9.1639 9.7426 9.7426 9.8598 9.8598 9.9046 9.9046 9.9498 9.9498 10.5556 10.5556 10.6481 10.6481 10.8968 10.8968 10.9455 10.9455 11.2228 11.2228 11.2730 11.2730 12.2611 12.2611 12.2935 12.2935 k = 0.4375 0.4375 0.2934 ( 3862 PWs) bands (ev): -31.0247 -31.0247 -31.0233 -31.0233 -12.1054 -12.1054 -12.1011 -12.1011 -10.7545 -10.7545 -10.7229 -10.7229 -10.6333 -10.6333 -10.6011 -10.6011 3.6629 3.6629 3.7462 3.7462 6.5975 6.5975 6.6785 6.6785 8.4999 8.4999 8.6743 8.6743 9.1295 9.1295 9.1560 9.1560 9.7216 9.7216 9.8661 9.8661 9.9152 9.9152 9.9624 9.9624 10.5404 10.5404 10.6576 10.6576 10.8946 10.8946 10.9499 10.9499 11.2369 11.2369 11.3026 11.3026 12.2604 12.2604 12.3031 12.3031 k = 0.4286 0.4286 0.2934 ( 3856 PWs) bands (ev): -31.0250 -31.0250 -31.0232 -31.0232 -12.1055 -12.1055 -12.0999 -12.0999 -10.7555 -10.7555 -10.7196 -10.7196 -10.6352 -10.6352 -10.5986 -10.5986 3.6403 3.6403 3.7488 3.7488 6.5970 6.5970 6.6984 6.6984 8.4698 8.4698 8.6911 8.6911 9.1147 9.1147 9.1468 9.1468 9.7003 9.7003 9.8734 9.8734 9.9274 9.9274 9.9749 9.9749 10.5256 10.5256 10.6682 10.6682 10.8921 10.8921 10.9524 10.9524 11.2547 11.2547 11.3366 11.3366 12.2596 12.2596 12.3136 12.3136 k = 0.4196 0.4196 0.2934 ( 3848 PWs) bands (ev): -31.0254 -31.0254 -31.0231 -31.0231 -12.1055 -12.1055 -12.0984 -12.0984 -10.7563 -10.7563 -10.7163 -10.7163 -10.6371 -10.6371 -10.5961 -10.5961 3.6146 3.6146 3.7515 3.7515 6.5985 6.5985 6.7208 6.7208 8.4358 8.4358 8.7067 8.7067 9.0990 9.0990 9.1365 9.1365 9.6788 9.6788 9.8817 9.8817 9.9411 9.9411 9.9872 9.9872 10.5117 10.5117 10.6799 10.6799 10.8894 10.8894 10.9531 10.9531 11.2766 11.2766 11.3746 11.3746 12.2587 12.2587 12.3246 12.3246 k = 0.4107 0.4107 0.2934 ( 3856 PWs) bands (ev): -31.0259 -31.0259 -31.0231 -31.0231 -12.1056 -12.1056 -12.0969 -12.0969 -10.7569 -10.7569 -10.7130 -10.7130 -10.6388 -10.6388 -10.5936 -10.5936 3.5857 3.5857 3.7542 3.7542 6.6024 6.6024 6.7458 6.7458 8.3979 8.3979 8.7204 8.7204 9.0829 9.0829 9.1252 9.1252 9.6574 9.6574 9.8908 9.8908 9.9562 9.9562 9.9996 9.9996 10.4988 10.4988 10.6924 10.6924 10.8863 10.8863 10.9520 10.9520 11.3027 11.3027 11.4161 11.4161 12.2577 12.2577 12.3354 12.3354 k = 0.4018 0.4018 0.2934 ( 3864 PWs) bands (ev): -31.0263 -31.0263 -31.0230 -31.0230 -12.1057 -12.1057 -12.0952 -12.0952 -10.7573 -10.7573 -10.7096 -10.7096 -10.6404 -10.6404 -10.5911 -10.5911 3.5539 3.5539 3.7568 3.7568 6.6092 6.6092 6.7733 6.7733 8.3564 8.3564 8.7312 8.7312 9.0668 9.0668 9.1127 9.1127 9.6363 9.6363 9.9008 9.9008 9.9726 9.9726 10.0121 10.0121 10.4871 10.4871 10.7059 10.7059 10.8829 10.8829 10.9497 10.9497 11.3334 11.3334 11.4607 11.4607 12.2565 12.2565 12.3458 12.3458 k = 0.3929 0.3929 0.2934 ( 3864 PWs) bands (ev): -31.0268 -31.0268 -31.0228 -31.0228 -12.1057 -12.1057 -12.0933 -12.0933 -10.7574 -10.7574 -10.7062 -10.7062 -10.6419 -10.6419 -10.5887 -10.5887 3.5190 3.5190 3.7592 3.7592 6.6191 6.6191 6.8032 6.8032 8.3115 8.3115 8.7383 8.7383 9.0510 9.0510 9.0993 9.0993 9.6159 9.6159 9.9117 9.9117 9.9905 9.9905 10.0248 10.0248 10.4768 10.4768 10.7204 10.7204 10.8794 10.8794 10.9464 10.9464 11.3687 11.3687 11.5081 11.5081 12.2552 12.2552 12.3551 12.3551 k = 0.3839 0.3839 0.2934 ( 3868 PWs) bands (ev): -31.0274 -31.0274 -31.0227 -31.0227 -12.1058 -12.1058 -12.0913 -12.0913 -10.7574 -10.7574 -10.7028 -10.7028 -10.6432 -10.6432 -10.5863 -10.5863 3.4813 3.4813 3.7612 3.7612 6.6324 6.6324 6.8357 6.8357 8.2636 8.2636 8.7410 8.7410 9.0358 9.0358 9.0849 9.0849 9.5964 9.5964 9.9235 9.9235 10.0096 10.0096 10.0380 10.0380 10.4678 10.4678 10.7358 10.7358 10.8755 10.8755 10.9424 10.9424 11.4086 11.4086 11.5578 11.5578 12.2537 12.2537 12.3628 12.3628 k = 0.3750 0.3750 0.2934 ( 3868 PWs) bands (ev): -31.0280 -31.0280 -31.0226 -31.0226 -12.1058 -12.1058 -12.0892 -12.0892 -10.7572 -10.7572 -10.6994 -10.6994 -10.6443 -10.6443 -10.5839 -10.5839 3.4409 3.4409 3.7627 3.7627 6.6494 6.6494 6.8706 6.8706 8.2131 8.2131 8.7389 8.7389 9.0215 9.0215 9.0697 9.0697 9.5779 9.5779 9.9362 9.9362 10.0296 10.0296 10.0519 10.0519 10.4601 10.4601 10.7523 10.7523 10.8715 10.8715 10.9378 10.9378 11.4531 11.4531 11.6097 11.6097 12.2521 12.2521 12.3684 12.3684 k = 0.3661 0.3661 0.2934 ( 3864 PWs) bands (ev): -31.0286 -31.0286 -31.0225 -31.0225 -12.1059 -12.1059 -12.0869 -12.0869 -10.7568 -10.7568 -10.6962 -10.6962 -10.6452 -10.6452 -10.5815 -10.5815 3.3980 3.3980 3.7636 3.7636 6.6700 6.6700 6.9078 6.9078 8.1603 8.1603 8.7315 8.7315 9.0083 9.0083 9.0537 9.0537 9.5606 9.5606 9.9497 9.9497 10.0499 10.0499 10.0672 10.0672 10.4538 10.4538 10.7698 10.7698 10.8674 10.8674 10.9329 10.9329 11.5018 11.5018 11.6635 11.6635 12.2501 12.2501 12.3716 12.3716 k = 0.3571 0.3571 0.2934 ( 3872 PWs) bands (ev): -31.0292 -31.0292 -31.0223 -31.0223 -12.1060 -12.1060 -12.0845 -12.0845 -10.7562 -10.7562 -10.6932 -10.6932 -10.6458 -10.6458 -10.5792 -10.5792 3.3527 3.3527 3.7638 3.7638 6.6943 6.6943 6.9474 6.9474 8.1059 8.1059 8.7188 8.7188 8.9962 8.9962 9.0370 9.0370 9.5444 9.5444 9.9640 9.9640 10.0689 10.0689 10.0855 10.0855 10.4487 10.4487 10.7884 10.7884 10.8631 10.8631 10.9280 10.9280 11.5548 11.5548 11.7191 11.7191 12.2481 12.2481 12.3718 12.3718 k = 0.3482 0.3482 0.2934 ( 3872 PWs) bands (ev): -31.0299 -31.0299 -31.0222 -31.0222 -12.1060 -12.1060 -12.0820 -12.0820 -10.7554 -10.7554 -10.6903 -10.6903 -10.6461 -10.6461 -10.5769 -10.5769 3.3052 3.3052 3.7630 3.7630 6.7224 6.7224 6.9893 6.9893 8.0504 8.0504 8.7009 8.7009 8.9855 8.9855 9.0199 9.0199 9.5293 9.5293 9.9791 9.9791 10.0860 10.0860 10.1073 10.1073 10.4447 10.4447 10.8080 10.8080 10.8588 10.8588 10.9232 10.9232 11.6116 11.6116 11.7762 11.7762 12.2459 12.2459 12.3690 12.3690 k = 0.3393 0.3393 0.2934 ( 3872 PWs) bands (ev): -31.0306 -31.0306 -31.0221 -31.0221 -12.1061 -12.1061 -12.0794 -12.0794 -10.7544 -10.7544 -10.6878 -10.6878 -10.6460 -10.6460 -10.5746 -10.5746 3.2558 3.2558 3.7612 3.7612 6.7539 6.7539 7.0335 7.0335 7.9942 7.9942 8.6779 8.6779 8.9759 8.9759 9.0024 9.0024 9.5152 9.5152 9.9949 9.9949 10.1021 10.1021 10.1318 10.1318 10.4418 10.4418 10.8282 10.8282 10.8550 10.8550 10.9190 10.9190 11.6721 11.6721 11.8348 11.8348 12.2435 12.2435 12.3632 12.3632 k = 0.3304 0.3304 0.2934 ( 3862 PWs) bands (ev): -31.0314 -31.0314 -31.0219 -31.0219 -12.1061 -12.1061 -12.0766 -12.0766 -10.7532 -10.7532 -10.6856 -10.6856 -10.6453 -10.6453 -10.5725 -10.5725 3.2048 3.2048 3.7583 3.7583 6.7888 6.7888 7.0798 7.0798 7.9379 7.9379 8.6504 8.6504 8.9672 8.9672 8.9852 8.9852 9.5018 9.5018 10.0114 10.0114 10.1180 10.1180 10.1581 10.1581 10.4397 10.4397 10.8436 10.8436 10.8567 10.8567 10.9158 10.9158 11.7360 11.7360 11.8947 11.8947 12.2408 12.2408 12.3547 12.3547 k = 0.3214 0.3214 0.2934 ( 3860 PWs) bands (ev): -31.0321 -31.0321 -31.0218 -31.0218 -12.1062 -12.1062 -12.0738 -12.0738 -10.7518 -10.7518 -10.6838 -10.6838 -10.6442 -10.6442 -10.5703 -10.5703 3.1523 3.1523 3.7540 3.7540 6.8268 6.8268 7.1283 7.1283 7.8820 7.8820 8.6187 8.6187 8.9571 8.9571 8.9705 8.9705 9.4889 9.4889 10.0285 10.0285 10.1343 10.1343 10.1857 10.1857 10.4383 10.4383 10.8428 10.8428 10.8744 10.8744 10.9150 10.9150 11.8030 11.8030 11.9558 11.9558 12.2379 12.2379 12.3436 12.3436 k = 0.3125 0.3125 0.2934 ( 3852 PWs) bands (ev): -31.0329 -31.0329 -31.0216 -31.0216 -12.1062 -12.1062 -12.0708 -12.0708 -10.7502 -10.7502 -10.6825 -10.6825 -10.6425 -10.6425 -10.5683 -10.5683 3.0986 3.0986 3.7483 3.7483 6.8675 6.8675 7.1789 7.1789 7.8270 7.8270 8.5835 8.5835 8.9420 8.9420 8.9623 8.9623 9.4761 9.4761 10.0462 10.0462 10.1510 10.1510 10.2144 10.2144 10.4375 10.4375 10.8389 10.8389 10.8902 10.8902 10.9214 10.9214 11.8728 11.8728 12.0180 12.0180 12.2347 12.2347 12.3307 12.3307 k = 0.3036 0.3036 0.2934 ( 3848 PWs) bands (ev): -31.0337 -31.0337 -31.0214 -31.0214 -12.1062 -12.1062 -12.0678 -12.0678 -10.7485 -10.7485 -10.6816 -10.6816 -10.6403 -10.6403 -10.5663 -10.5663 3.0440 3.0440 3.7411 3.7411 6.9107 6.9107 7.2316 7.2316 7.7732 7.7732 8.5456 8.5456 8.9241 8.9241 8.9584 8.9584 9.4634 9.4634 10.0643 10.0643 10.1682 10.1682 10.2440 10.2440 10.4371 10.4371 10.8348 10.8348 10.8960 10.8960 10.9407 10.9407 11.9449 11.9449 12.0810 12.0810 12.2312 12.2312 12.3164 12.3164 k = 0.2946 0.2946 0.2934 ( 3856 PWs) bands (ev): -31.0345 -31.0345 -31.0213 -31.0213 -12.1062 -12.1062 -12.0647 -12.0647 -10.7466 -10.7466 -10.6812 -10.6812 -10.6376 -10.6376 -10.5644 -10.5644 2.9886 2.9886 3.7323 3.7323 6.9557 6.9557 7.2862 7.2862 7.7211 7.7211 8.5054 8.5054 8.9054 8.9054 8.9568 8.9568 9.4505 9.4505 10.0827 10.0827 10.1861 10.1861 10.2743 10.2743 10.4368 10.4368 10.8308 10.8308 10.8973 10.8973 10.9668 10.9668 12.0190 12.0190 12.1448 12.1448 12.2277 12.2277 12.3014 12.3014 k = 0.2857 0.2857 0.2934 ( 3852 PWs) bands (ev): -31.0353 -31.0353 -31.0211 -31.0211 -12.1062 -12.1062 -12.0616 -12.0616 -10.7446 -10.7446 -10.6810 -10.6810 -10.6345 -10.6345 -10.5626 -10.5626 2.9328 2.9328 3.7218 3.7218 7.0021 7.0021 7.3426 7.3426 7.6711 7.6711 8.4639 8.4639 8.8865 8.8865 8.9572 8.9572 9.4374 9.4374 10.1014 10.1014 10.2046 10.2046 10.3052 10.3052 10.4367 10.4367 10.8270 10.8270 10.8983 10.8983 10.9959 10.9959 12.0943 12.0943 12.2070 12.2070 12.2267 12.2267 12.2865 12.2865 k = 0.2768 0.2768 0.2934 ( 3860 PWs) bands (ev): -31.0361 -31.0361 -31.0209 -31.0209 -12.1062 -12.1062 -12.0584 -12.0584 -10.7424 -10.7424 -10.6811 -10.6811 -10.6311 -10.6311 -10.5609 -10.5609 2.8768 2.8768 3.7096 3.7096 7.0493 7.0493 7.4009 7.4009 7.6234 7.6234 8.4218 8.4218 8.8677 8.8677 8.9594 8.9594 9.4239 9.4239 10.1202 10.1202 10.2239 10.2239 10.3367 10.3367 10.4364 10.4364 10.8236 10.8236 10.9000 10.9000 11.0268 11.0268 12.1666 12.1666 12.2224 12.2224 12.2708 12.2708 12.2782 12.2782 k = 0.2679 0.2679 0.2934 ( 3856 PWs) bands (ev): -31.0370 -31.0370 -31.0207 -31.0207 -12.1062 -12.1062 -12.0551 -12.0551 -10.7401 -10.7401 -10.6814 -10.6814 -10.6275 -10.6275 -10.5592 -10.5592 2.8208 2.8208 3.6956 3.6956 7.0965 7.0965 7.4608 7.4608 7.5784 7.5784 8.3798 8.3798 8.8490 8.8490 8.9634 8.9634 9.4099 9.4099 10.1391 10.1391 10.2440 10.2440 10.3688 10.3688 10.4360 10.4360 10.8206 10.8206 10.9029 10.9029 11.0591 11.0591 12.1999 12.1999 12.2519 12.2519 12.2698 12.2698 12.3424 12.3424 k = 0.2589 0.2589 0.2934 ( 3856 PWs) bands (ev): -31.0378 -31.0378 -31.0206 -31.0206 -12.1061 -12.1061 -12.0518 -12.0518 -10.7377 -10.7377 -10.6818 -10.6818 -10.6236 -10.6236 -10.5577 -10.5577 2.7649 2.7649 3.6799 3.6799 7.1431 7.1431 7.5182 7.5182 7.5402 7.5402 8.3390 8.3390 8.8306 8.8306 8.9692 8.9692 9.3956 9.3956 10.1576 10.1576 10.2649 10.2649 10.4011 10.4011 10.4354 10.4354 10.8178 10.8178 10.9071 10.9071 11.0925 11.0925 12.1977 12.1977 12.2451 12.2451 12.3407 12.3407 12.4086 12.4086 k = 0.2500 0.2500 0.2934 ( 3856 PWs) bands (ev): -31.0387 -31.0387 -31.0204 -31.0204 -12.1061 -12.1061 -12.0485 -12.0485 -10.7352 -10.7352 -10.6823 -10.6823 -10.6196 -10.6196 -10.5562 -10.5562 2.7095 2.7095 3.6625 3.6625 7.1879 7.1879 7.4942 7.4942 7.5879 7.5879 8.3001 8.3001 8.8124 8.8124 8.9768 8.9768 9.3809 9.3809 10.1757 10.1757 10.2867 10.2867 10.4312 10.4312 10.4368 10.4368 10.8158 10.8158 10.9128 10.9128 11.1266 11.1266 12.1915 12.1915 12.2354 12.2354 12.4202 12.4202 12.4754 12.4754 k = 0.2411 0.2411 0.2934 ( 3854 PWs) bands (ev): -31.0395 -31.0395 -31.0202 -31.0202 -12.1060 -12.1060 -12.0451 -12.0451 -10.7326 -10.7326 -10.6829 -10.6829 -10.6155 -10.6155 -10.5549 -10.5549 2.6546 2.6546 3.6434 3.6434 7.2300 7.2300 7.4577 7.4577 7.6525 7.6525 8.2644 8.2644 8.7946 8.7946 8.9862 8.9862 9.3658 9.3658 10.1931 10.1931 10.3094 10.3094 10.4324 10.4324 10.4670 10.4670 10.8145 10.8145 10.9199 10.9199 11.1613 11.1613 12.1846 12.1846 12.2272 12.2272 12.5005 12.5005 12.5426 12.5426 k = 0.2321 0.2321 0.2934 ( 3848 PWs) bands (ev): -31.0404 -31.0404 -31.0201 -31.0201 -12.1059 -12.1059 -12.0418 -12.0418 -10.7299 -10.7299 -10.6834 -10.6834 -10.6114 -10.6114 -10.5536 -10.5536 2.6005 2.6005 3.6227 3.6227 7.2681 7.2681 7.4238 7.4238 7.7190 7.7190 8.2329 8.2329 8.7772 8.7772 8.9975 8.9975 9.3504 9.3504 10.2097 10.2097 10.3330 10.3330 10.4307 10.4307 10.4999 10.4999 10.8140 10.8140 10.9285 10.9285 11.1962 11.1962 12.1781 12.1781 12.2205 12.2205 12.5796 12.5796 12.6110 12.6110 k = 0.2232 0.2232 0.2934 ( 3856 PWs) bands (ev): -31.0412 -31.0412 -31.0199 -31.0199 -12.1059 -12.1059 -12.0384 -12.0384 -10.7271 -10.7271 -10.6840 -10.6840 -10.6072 -10.6072 -10.5525 -10.5525 2.5472 2.5472 3.6006 3.6006 7.3009 7.3009 7.3928 7.3928 7.7870 7.7870 8.2068 8.2068 8.7603 8.7603 9.0105 9.0105 9.3347 9.3347 10.2249 10.2249 10.3575 10.3575 10.4285 10.4285 10.5327 10.5327 10.8144 10.8144 10.9384 10.9384 11.2309 11.2309 12.1720 12.1720 12.2155 12.2155 12.6550 12.6550 12.6823 12.6823 k = 0.2143 0.2143 0.2934 ( 3850 PWs) bands (ev): -31.0421 -31.0421 -31.0197 -31.0197 -12.1058 -12.1058 -12.0351 -12.0351 -10.7244 -10.7244 -10.6846 -10.6846 -10.6030 -10.6030 -10.5515 -10.5515 2.4951 2.4951 3.5771 3.5771 7.3270 7.3270 7.3647 7.3647 7.8563 7.8563 8.1873 8.1873 8.7439 8.7439 9.0254 9.0254 9.3188 9.3188 10.2387 10.2387 10.3827 10.3827 10.4261 10.4261 10.5655 10.5655 10.8160 10.8160 10.9498 10.9498 11.2650 11.2650 12.1665 12.1665 12.2128 12.2128 12.7245 12.7245 12.7580 12.7580 k = 0.2054 0.2054 0.2934 ( 3846 PWs) bands (ev): -31.0429 -31.0429 -31.0195 -31.0195 -12.1057 -12.1057 -12.0318 -12.0318 -10.7216 -10.7216 -10.6851 -10.6851 -10.5988 -10.5988 -10.5506 -10.5506 2.4442 2.4442 3.5524 3.5524 7.3379 7.3379 7.3470 7.3470 7.9269 7.9269 8.1753 8.1753 8.7280 8.7280 9.0420 9.0420 9.3028 9.3028 10.2506 10.2506 10.4083 10.4083 10.4238 10.4238 10.5980 10.5980 10.8189 10.8189 10.9622 10.9622 11.2981 11.2981 12.1609 12.1609 12.2133 12.2133 12.7894 12.7894 12.8358 12.8358 k = 0.1964 0.1964 0.2934 ( 3846 PWs) bands (ev): -31.0437 -31.0437 -31.0194 -31.0194 -12.1055 -12.1055 -12.0285 -12.0285 -10.7188 -10.7188 -10.6855 -10.6855 -10.5946 -10.5946 -10.5497 -10.5497 2.3946 2.3946 3.5268 3.5268 7.3159 7.3159 7.3566 7.3566 7.9987 7.9987 8.1713 8.1713 8.7128 8.7128 9.0605 9.0605 9.2868 9.2868 10.2603 10.2603 10.4191 10.4191 10.4367 10.4367 10.6304 10.6304 10.8233 10.8233 10.9759 10.9759 11.3299 11.3299 12.1544 12.1544 12.2181 12.2181 12.8512 12.8512 12.9134 12.9134 k = 0.1875 0.1875 0.2934 ( 3852 PWs) bands (ev): -31.0445 -31.0445 -31.0192 -31.0192 -12.1054 -12.1054 -12.0253 -12.0253 -10.7161 -10.7161 -10.6859 -10.6859 -10.5905 -10.5905 -10.5490 -10.5490 2.3465 2.3465 3.5003 3.5003 7.2956 7.2956 7.3588 7.3588 8.0715 8.0715 8.1752 8.1752 8.6981 8.6981 9.0806 9.0806 9.2709 9.2709 10.2676 10.2676 10.4162 10.4162 10.4635 10.4635 10.6622 10.6622 10.8292 10.8292 10.9904 10.9904 11.3596 11.3596 12.1469 12.1469 12.2278 12.2278 12.9100 12.9100 12.9896 12.9896 k = 0.1786 0.1786 0.2934 ( 3860 PWs) bands (ev): -31.0453 -31.0453 -31.0191 -31.0191 -12.1053 -12.1053 -12.0221 -12.0221 -10.7135 -10.7135 -10.6861 -10.6861 -10.5865 -10.5865 -10.5484 -10.5484 2.2999 2.2999 3.4733 3.4733 7.2776 7.2776 7.3532 7.3532 8.1452 8.1452 8.1865 8.1865 8.6840 8.6840 9.1023 9.1023 9.2552 9.2552 10.2722 10.2722 10.4129 10.4129 10.4910 10.4910 10.6935 10.6935 10.8368 10.8368 11.0056 11.0056 11.3871 11.3871 12.1379 12.1379 12.2429 12.2429 12.9656 12.9656 13.0636 13.0636 k = 0.1696 0.1696 0.2934 ( 3860 PWs) bands (ev): -31.0460 -31.0460 -31.0189 -31.0189 -12.1052 -12.1052 -12.0191 -12.0191 -10.7110 -10.7110 -10.6862 -10.6862 -10.5825 -10.5825 -10.5479 -10.5479 2.2550 2.2550 3.4458 3.4458 7.2617 7.2617 7.3410 7.3410 8.2031 8.2031 8.2206 8.2206 8.6706 8.6706 9.1256 9.1256 9.2398 9.2398 10.2738 10.2738 10.4094 10.4094 10.5185 10.5185 10.7244 10.7244 10.8461 10.8461 11.0215 11.0215 11.4117 11.4117 12.1279 12.1279 12.2636 12.2636 13.0175 13.0175 13.1347 13.1347 k = 0.1607 0.1607 0.2934 ( 3864 PWs) bands (ev): -31.0468 -31.0468 -31.0188 -31.0188 -12.1050 -12.1050 -12.0160 -12.0160 -10.7087 -10.7087 -10.6860 -10.6860 -10.5787 -10.5787 -10.5475 -10.5475 2.2119 2.2119 3.4182 3.4182 7.2480 7.2480 7.3235 7.3235 8.2253 8.2253 8.2957 8.2957 8.6579 8.6579 9.1500 9.1500 9.2251 9.2251 10.2721 10.2721 10.4059 10.4059 10.5458 10.5458 10.7546 10.7546 10.8569 10.8569 11.0378 11.0378 11.4332 11.4332 12.1167 12.1167 12.2901 12.2901 13.0651 13.0651 13.2022 13.2022 k = 0.1518 0.1518 0.2934 ( 3862 PWs) bands (ev): -31.0475 -31.0475 -31.0186 -31.0186 -12.1049 -12.1049 -12.0131 -12.0131 -10.7067 -10.7067 -10.6856 -10.6856 -10.5750 -10.5750 -10.5471 -10.5471 2.1707 2.1707 3.3907 3.3907 7.2360 7.2360 7.3020 7.3020 8.2504 8.2504 8.3718 8.3718 8.6459 8.6459 9.1740 9.1740 9.2125 9.2125 10.2671 10.2671 10.4025 10.4025 10.5726 10.5726 10.7840 10.7840 10.8694 10.8694 11.0545 11.0545 11.4511 11.4511 12.1045 12.1045 12.3225 12.3225 13.1078 13.1078 13.2655 13.2655 k = 0.1429 0.1429 0.2934 ( 3862 PWs) bands (ev): -31.0482 -31.0482 -31.0185 -31.0185 -12.1047 -12.1047 -12.0103 -12.0103 -10.7050 -10.7050 -10.6848 -10.6848 -10.5714 -10.5714 -10.5468 -10.5468 2.1314 2.1314 3.3634 3.3634 7.2256 7.2256 7.2778 7.2778 8.2774 8.2774 8.4485 8.4485 8.6345 8.6345 9.1855 9.1855 9.2142 9.2142 10.2587 10.2587 10.3992 10.3992 10.5986 10.5986 10.8125 10.8125 10.8833 10.8833 11.0713 11.0713 11.4652 11.4652 12.0913 12.0913 12.3608 12.3608 13.1450 13.1450 13.3239 13.3239 k = 0.1339 0.1339 0.2934 ( 3862 PWs) bands (ev): -31.0488 -31.0488 -31.0184 -31.0184 -12.1046 -12.1046 -12.0076 -12.0076 -10.7037 -10.7037 -10.6838 -10.6838 -10.5681 -10.5681 -10.5466 -10.5466 2.0942 2.0942 3.3365 3.3365 7.2168 7.2168 7.2519 7.2519 8.3053 8.3053 8.5254 8.5254 8.6241 8.6241 9.1762 9.1762 9.2383 9.2383 10.2467 10.2467 10.3960 10.3960 10.6236 10.6236 10.8400 10.8400 10.8984 10.8984 11.0881 11.0881 11.4753 11.4753 12.0771 12.0771 12.4051 12.4051 13.1763 13.1763 13.3764 13.3764 k = 0.1250 0.1250 0.2934 ( 3850 PWs) bands (ev): -31.0494 -31.0494 -31.0182 -31.0182 -12.1044 -12.1044 -12.0050 -12.0050 -10.7026 -10.7026 -10.6824 -10.6824 -10.5649 -10.5649 -10.5464 -10.5464 2.0591 2.0591 3.3104 3.3104 7.2093 7.2093 7.2253 7.2253 8.3333 8.3333 8.5995 8.5995 8.6175 8.6175 9.1637 9.1637 9.2670 9.2670 10.2311 10.2311 10.3931 10.3931 10.6471 10.6471 10.8662 10.8662 10.9145 10.9145 11.1049 11.1049 11.4814 11.4814 12.0622 12.0622 12.4550 12.4550 13.2013 13.2013 13.4215 13.4215 k = 0.1161 0.1161 0.2934 ( 3846 PWs) bands (ev): -31.0500 -31.0500 -31.0181 -31.0181 -12.1042 -12.1042 -12.0025 -12.0025 -10.7019 -10.7019 -10.6808 -10.6808 -10.5620 -10.5620 -10.5462 -10.5462 2.0261 2.0261 3.2852 3.2852 7.1980 7.1980 7.2033 7.2033 8.3607 8.3607 8.6036 8.6036 8.6818 8.6818 9.1511 9.1511 9.2971 9.2971 10.2120 10.2120 10.3904 10.3904 10.6692 10.6692 10.8911 10.8911 10.9313 10.9313 11.1213 11.1213 11.4836 11.4836 12.0465 12.0465 12.5103 12.5103 13.2200 13.2200 13.4472 13.4472 k = 0.1071 0.1071 0.2934 ( 3842 PWs) bands (ev): -31.0506 -31.0506 -31.0180 -31.0180 -12.1041 -12.1041 -12.0002 -12.0002 -10.7015 -10.7015 -10.6790 -10.6790 -10.5593 -10.5593 -10.5459 -10.5459 1.9953 1.9953 3.2610 3.2610 7.1719 7.1719 7.1978 7.1978 8.3869 8.3869 8.5953 8.5953 8.7592 8.7592 9.1390 9.1390 9.3277 9.3277 10.1892 10.1892 10.3880 10.3880 10.6895 10.6895 10.9146 10.9146 10.9485 10.9485 11.1373 11.1373 11.4819 11.4819 12.0303 12.0303 12.5705 12.5705 13.2326 13.2326 13.4145 13.4145 k = 0.0982 0.0982 0.2934 ( 3850 PWs) bands (ev): -31.0511 -31.0511 -31.0179 -31.0179 -12.1040 -12.1040 -11.9981 -11.9981 -10.7012 -10.7012 -10.6771 -10.6771 -10.5570 -10.5570 -10.5455 -10.5455 1.9669 1.9669 3.2381 3.2381 7.1466 7.1466 7.1933 7.1933 8.4115 8.4115 8.5875 8.5875 8.8366 8.8366 9.1275 9.1275 9.3583 9.3583 10.1629 10.1629 10.3858 10.3858 10.7080 10.7080 10.9363 10.9363 10.9659 10.9659 11.1527 11.1527 11.4769 11.4769 12.0137 12.0137 12.6346 12.6346 13.2397 13.2397 13.3693 13.3693 k = 0.0893 0.0893 0.2934 ( 3850 PWs) bands (ev): -31.0515 -31.0515 -31.0178 -31.0178 -12.1038 -12.1038 -11.9961 -11.9961 -10.7011 -10.7011 -10.6753 -10.6753 -10.5552 -10.5552 -10.5450 -10.5450 1.9407 1.9407 3.2166 3.2166 7.1225 7.1225 7.1896 7.1896 8.4344 8.4344 8.5803 8.5803 8.9138 8.9138 9.1168 9.1168 9.3888 9.3888 10.1330 10.1330 10.3839 10.3839 10.7247 10.7247 10.9564 10.9564 10.9831 10.9831 11.1674 11.1674 11.4688 11.4688 11.9970 11.9970 12.7019 12.7019 13.2418 13.2418 13.3264 13.3264 k = 0.0804 0.0804 0.2934 ( 3860 PWs) bands (ev): -31.0520 -31.0520 -31.0177 -31.0177 -12.1037 -12.1037 -11.9942 -11.9942 -10.7010 -10.7010 -10.6734 -10.6734 -10.5538 -10.5538 -10.5442 -10.5442 1.9169 1.9169 3.1967 3.1967 7.1000 7.1000 7.1865 7.1865 8.4554 8.4554 8.5739 8.5739 8.9903 8.9903 9.1070 9.1070 9.4184 9.4184 10.0997 10.0997 10.3822 10.3822 10.7395 10.7395 10.9746 10.9746 10.9998 10.9998 11.1812 11.1812 11.4584 11.4584 11.9804 11.9804 12.7709 12.7709 13.2396 13.2396 13.2879 13.2879 k = 0.0714 0.0714 0.2934 ( 3856 PWs) bands (ev): -31.0524 -31.0524 -31.0177 -31.0177 -12.1036 -12.1036 -11.9926 -11.9926 -10.7010 -10.7010 -10.6716 -10.6716 -10.5529 -10.5529 -10.5432 -10.5432 1.8955 1.8955 3.1785 3.1785 7.0794 7.0794 7.1840 7.1840 8.4743 8.4743 8.5682 8.5682 9.0646 9.0646 9.0997 9.0997 9.4469 9.4469 10.0629 10.0629 10.3808 10.3808 10.7525 10.7525 10.9912 10.9912 11.0157 11.0157 11.1940 11.1940 11.4461 11.4461 11.9643 11.9643 12.8402 12.8402 13.2319 13.2319 13.2562 13.2562 k = 0.0625 0.0625 0.2934 ( 3856 PWs) bands (ev): -31.0527 -31.0527 -31.0176 -31.0176 -12.1035 -12.1035 -11.9911 -11.9911 -10.7011 -10.7011 -10.6700 -10.6700 -10.5523 -10.5523 -10.5421 -10.5421 1.8766 1.8766 3.1622 3.1622 7.0608 7.0608 7.1821 7.1821 8.4910 8.4910 8.5631 8.5631 9.0872 9.0872 9.1441 9.1441 9.4738 9.4738 10.0227 10.0227 10.3795 10.3795 10.7637 10.7637 11.0060 11.0060 11.0305 11.0305 11.2057 11.2057 11.4329 11.4329 11.9489 11.9489 12.9079 12.9079 13.2127 13.2127 13.2385 13.2385 k = 0.0536 0.0536 0.2934 ( 3856 PWs) bands (ev): -31.0530 -31.0530 -31.0175 -31.0175 -12.1034 -12.1034 -11.9898 -11.9898 -10.7011 -10.7011 -10.6685 -10.6685 -10.5520 -10.5520 -10.5409 -10.5409 1.8601 1.8601 3.1478 3.1478 7.0444 7.0444 7.1805 7.1805 8.5055 8.5055 8.5588 8.5588 9.0809 9.0809 9.2174 9.2174 9.4985 9.4985 9.9792 9.9792 10.3786 10.3786 10.7732 10.7732 11.0190 11.0190 11.0438 11.0438 11.2161 11.2161 11.4193 11.4193 11.9347 11.9347 12.9720 12.9720 13.1884 13.1884 13.2297 13.2297 k = 0.0446 0.0446 0.2934 ( 3856 PWs) bands (ev): -31.0533 -31.0533 -31.0175 -31.0175 -12.1033 -12.1033 -11.9887 -11.9887 -10.7012 -10.7012 -10.6672 -10.6672 -10.5519 -10.5519 -10.5398 -10.5398 1.8461 1.8461 3.1355 3.1355 7.0304 7.0304 7.1792 7.1792 8.5177 8.5177 8.5553 8.5553 9.0748 9.0748 9.2899 9.2899 9.5205 9.5205 9.9327 9.9327 10.3777 10.3777 10.7810 10.7810 11.0302 11.0302 11.0554 11.0554 11.2252 11.2252 11.4062 11.4062 11.9219 11.9219 13.0301 13.0301 13.1666 13.1666 13.2232 13.2232 k = 0.0357 0.0357 0.2934 ( 3852 PWs) bands (ev): -31.0535 -31.0535 -31.0174 -31.0174 -12.1032 -12.1032 -11.9878 -11.9878 -10.7013 -10.7013 -10.6661 -10.6661 -10.5519 -10.5519 -10.5389 -10.5389 1.8346 1.8346 3.1253 3.1253 7.0187 7.0187 7.1783 7.1783 8.5276 8.5276 8.5524 8.5524 9.0697 9.0697 9.3607 9.3607 9.5393 9.5393 9.8835 9.8835 10.3771 10.3771 10.7873 10.7873 11.0395 11.0395 11.0651 11.0651 11.2327 11.2327 11.3943 11.3943 11.9110 11.9110 13.0793 13.0793 13.1486 13.1486 13.2190 13.2190 k = 0.0268 0.0268 0.2934 ( 3856 PWs) bands (ev): -31.0537 -31.0537 -31.0174 -31.0174 -12.1032 -12.1032 -11.9871 -11.9871 -10.7013 -10.7013 -10.6652 -10.6652 -10.5519 -10.5519 -10.5381 -10.5381 1.8257 1.8257 3.1172 3.1172 7.0096 7.0096 7.1775 7.1775 8.5351 8.5351 8.5505 8.5505 9.0657 9.0657 9.4288 9.4288 9.5546 9.5546 9.8322 9.8322 10.3766 10.3766 10.7922 10.7922 11.0468 11.0468 11.0729 11.0729 11.2387 11.2387 11.3842 11.3842 11.9021 11.9021 13.1158 13.1158 13.1356 13.1356 13.2183 13.2183 k = 0.0179 0.0179 0.2934 ( 3868 PWs) bands (ev): -31.0538 -31.0538 -31.0174 -31.0174 -12.1031 -12.1031 -11.9866 -11.9866 -10.7014 -10.7014 -10.6646 -10.6646 -10.5519 -10.5519 -10.5375 -10.5375 1.8193 1.8193 3.1115 3.1115 7.0031 7.0031 7.1770 7.1770 8.5398 8.5398 8.5497 8.5497 9.0628 9.0628 9.4927 9.4927 9.5659 9.5659 9.7802 9.7802 10.3763 10.3763 10.7955 10.7955 11.0521 11.0521 11.0785 11.0785 11.2431 11.2431 11.3765 11.3765 11.8955 11.8955 13.1223 13.1223 13.1429 13.1429 13.2221 13.2221 k = 0.0089 0.0089 0.2934 ( 3864 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1031 -12.1031 -11.9862 -11.9862 -10.7014 -10.7014 -10.6642 -10.6642 -10.5520 -10.5520 -10.5372 -10.5372 1.8154 1.8154 3.1080 3.1080 6.9991 6.9991 7.1767 7.1767 8.5418 8.5418 8.5499 8.5499 9.0611 9.0611 9.5471 9.5471 9.5735 9.5735 9.7324 9.7324 10.3761 10.3761 10.7976 10.7976 11.0553 11.0553 11.0819 11.0819 11.2457 11.2457 11.3717 11.3717 11.8915 11.8915 13.1169 13.1169 13.1534 13.1534 13.2278 13.2278 k = 0.0000 0.0000 0.2934 ( 3868 PWs) bands (ev): -31.0539 -31.0539 -31.0174 -31.0174 -12.1031 -12.1031 -11.9861 -11.9861 -10.7014 -10.7014 -10.6641 -10.6641 -10.5520 -10.5520 -10.5371 -10.5371 1.8141 1.8141 3.1068 3.1068 6.9978 6.9978 7.1766 7.1766 8.5423 8.5423 8.5503 8.5503 9.0605 9.0605 9.5694 9.5694 9.5803 9.5803 9.7080 9.7080 10.3760 10.3760 10.7982 10.7982 11.0563 11.0563 11.0831 11.0831 11.2465 11.2465 11.3701 11.3701 11.8902 11.8902 13.1150 13.1150 13.1564 13.1564 13.2305 13.2305 k = 0.0000 0.5000-0.0000 ( 3856 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7235 -10.7235 -10.7235 -10.7235 -10.5713 -10.5713 -10.5713 -10.5713 3.2642 3.2642 3.2642 3.2642 7.1804 7.1804 7.1804 7.1804 8.5800 8.5800 8.5800 8.5800 8.6457 8.6457 8.6457 8.6457 9.8384 9.8384 9.8384 9.8384 9.9144 9.9144 9.9144 9.9144 10.3792 10.3792 10.3792 10.3792 10.7204 10.7204 10.7204 10.7204 12.0855 12.0855 12.0855 12.0855 13.7356 13.7356 13.7356 13.7356 k = 0.0000 0.5000 0.0122 ( 3852 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7235 -10.7235 -10.7235 -10.7235 -10.5713 -10.5713 -10.5713 -10.5713 3.2646 3.2646 3.2646 3.2646 7.1780 7.1780 7.1780 7.1780 8.5805 8.5805 8.5805 8.5805 8.6458 8.6458 8.6458 8.6458 9.8391 9.8391 9.8391 9.8391 9.9149 9.9149 9.9149 9.9149 10.3797 10.3797 10.3797 10.3797 10.7222 10.7222 10.7222 10.7222 12.0836 12.0836 12.0836 12.0836 13.7298 13.7298 13.7298 13.7298 k = 0.0000 0.5000 0.0244 ( 3848 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7236 -10.7236 -10.7236 -10.7236 -10.5713 -10.5713 -10.5713 -10.5713 3.2658 3.2658 3.2658 3.2658 7.1711 7.1711 7.1711 7.1711 8.5821 8.5821 8.5821 8.5821 8.6460 8.6460 8.6460 8.6460 9.8411 9.8411 9.8411 9.8411 9.9161 9.9161 9.9161 9.9161 10.3811 10.3811 10.3811 10.3811 10.7274 10.7274 10.7274 10.7274 12.0780 12.0780 12.0780 12.0780 13.7128 13.7128 13.7128 13.7128 k = 0.0000 0.5000 0.0367 ( 3836 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7237 -10.7237 -10.7237 -10.7237 -10.5712 -10.5712 -10.5712 -10.5712 3.2677 3.2677 3.2677 3.2677 7.1598 7.1598 7.1598 7.1598 8.5846 8.5846 8.5846 8.5846 8.6462 8.6462 8.6462 8.6462 9.8443 9.8443 9.8443 9.8443 9.9182 9.9182 9.9182 9.9182 10.3831 10.3831 10.3831 10.3831 10.7364 10.7364 10.7364 10.7364 12.0689 12.0689 12.0689 12.0689 13.6852 13.6852 13.6852 13.6852 k = 0.0000 0.5000 0.0489 ( 3828 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0818 -12.0818 -12.0818 -12.0818 -10.7237 -10.7237 -10.7237 -10.7237 -10.5710 -10.5710 -10.5710 -10.5710 3.2704 3.2704 3.2704 3.2704 7.1444 7.1444 7.1444 7.1444 8.5879 8.5879 8.5879 8.5879 8.6466 8.6466 8.6466 8.6466 9.8486 9.8486 9.8486 9.8486 9.9212 9.9212 9.9212 9.9212 10.3857 10.3857 10.3857 10.3857 10.7492 10.7492 10.7492 10.7492 12.0566 12.0566 12.0566 12.0566 13.6480 13.6480 13.6480 13.6480 k = 0.0000 0.5000 0.0611 ( 3828 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0819 -12.0819 -12.0819 -12.0819 -10.7239 -10.7239 -10.7239 -10.7239 -10.5709 -10.5709 -10.5709 -10.5709 3.2738 3.2738 3.2738 3.2738 7.1254 7.1254 7.1254 7.1254 8.5916 8.5916 8.5916 8.5916 8.6470 8.6470 8.6470 8.6470 9.8538 9.8538 9.8538 9.8538 9.9252 9.9252 9.9252 9.9252 10.3884 10.3884 10.3884 10.3884 10.7660 10.7660 10.7660 10.7660 12.0413 12.0413 12.0413 12.0413 13.6028 13.6028 13.6028 13.6028 k = 0.0000 0.5000 0.0733 ( 3824 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0819 -12.0819 -12.0819 -12.0819 -10.7240 -10.7240 -10.7240 -10.7240 -10.5707 -10.5707 -10.5707 -10.5707 3.2779 3.2779 3.2779 3.2779 7.1032 7.1032 7.1032 7.1032 8.5955 8.5955 8.5955 8.5955 8.6475 8.6475 8.6475 8.6475 9.8595 9.8595 9.8595 9.8595 9.9304 9.9304 9.9304 9.9304 10.3911 10.3911 10.3911 10.3911 10.7869 10.7869 10.7869 10.7869 12.0237 12.0237 12.0237 12.0237 13.5507 13.5507 13.5507 13.5507 k = 0.0000 0.5000 0.0856 ( 3832 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0819 -12.0819 -12.0819 -12.0819 -10.7242 -10.7242 -10.7242 -10.7242 -10.5706 -10.5706 -10.5706 -10.5706 3.2825 3.2825 3.2825 3.2825 7.0783 7.0783 7.0783 7.0783 8.5995 8.5995 8.5995 8.5995 8.6480 8.6480 8.6480 8.6480 9.8656 9.8656 9.8656 9.8656 9.9368 9.9368 9.9368 9.9368 10.3934 10.3934 10.3934 10.3934 10.8122 10.8122 10.8122 10.8122 12.0042 12.0042 12.0042 12.0042 13.4930 13.4930 13.4930 13.4930 k = 0.0000 0.5000 0.0978 ( 3834 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0820 -12.0820 -12.0820 -12.0820 -10.7243 -10.7243 -10.7243 -10.7243 -10.5703 -10.5703 -10.5703 -10.5703 3.2877 3.2877 3.2877 3.2877 7.0514 7.0514 7.0514 7.0514 8.6032 8.6032 8.6032 8.6032 8.6487 8.6487 8.6487 8.6487 9.8717 9.8717 9.8717 9.8717 9.9447 9.9447 9.9447 9.9447 10.3951 10.3951 10.3951 10.3951 10.8420 10.8420 10.8420 10.8420 11.9832 11.9832 11.9832 11.9832 13.4308 13.4308 13.4308 13.4308 k = 0.0000 0.5000 0.1100 ( 3822 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0820 -12.0820 -12.0820 -12.0820 -10.7245 -10.7245 -10.7245 -10.7245 -10.5701 -10.5701 -10.5701 -10.5701 3.2933 3.2933 3.2933 3.2933 7.0230 7.0230 7.0230 7.0230 8.6066 8.6066 8.6066 8.6066 8.6494 8.6494 8.6494 8.6494 9.8777 9.8777 9.8777 9.8777 9.9540 9.9540 9.9540 9.9540 10.3962 10.3962 10.3962 10.3962 10.8761 10.8761 10.8761 10.8761 11.9612 11.9612 11.9612 11.9612 13.3651 13.3651 13.3651 13.3651 k = 0.0000 0.5000 0.1222 ( 3828 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0820 -12.0820 -12.0820 -12.0820 -10.7247 -10.7247 -10.7247 -10.7247 -10.5699 -10.5699 -10.5699 -10.5699 3.2993 3.2993 3.2993 3.2993 6.9937 6.9937 6.9937 6.9937 8.6095 8.6095 8.6095 8.6095 8.6501 8.6501 8.6501 8.6501 9.8832 9.8832 9.8832 9.8832 9.9645 9.9645 9.9645 9.9645 10.3964 10.3964 10.3964 10.3964 10.9145 10.9145 10.9145 10.9145 11.9387 11.9387 11.9387 11.9387 13.2966 13.2966 13.2966 13.2966 k = 0.0000 0.5000 0.1345 ( 3826 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0821 -12.0821 -12.0821 -12.0821 -10.7249 -10.7249 -10.7249 -10.7249 -10.5696 -10.5696 -10.5696 -10.5696 3.3055 3.3055 3.3055 3.3055 6.9639 6.9639 6.9639 6.9639 8.6118 8.6118 8.6118 8.6118 8.6508 8.6508 8.6508 8.6508 9.8884 9.8884 9.8884 9.8884 9.9761 9.9761 9.9761 9.9761 10.3958 10.3958 10.3958 10.3958 10.9568 10.9568 10.9568 10.9568 11.9160 11.9160 11.9160 11.9160 13.2259 13.2259 13.2259 13.2259 k = 0.0000 0.5000 0.1467 ( 3826 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0821 -12.0821 -12.0821 -12.0821 -10.7251 -10.7251 -10.7251 -10.7251 -10.5694 -10.5694 -10.5694 -10.5694 3.3119 3.3119 3.3119 3.3119 6.9342 6.9342 6.9342 6.9342 8.6136 8.6136 8.6136 8.6136 8.6515 8.6515 8.6515 8.6515 9.8932 9.8932 9.8932 9.8932 9.9885 9.9885 9.9885 9.9885 10.3944 10.3944 10.3944 10.3944 11.0027 11.0027 11.0027 11.0027 11.8936 11.8936 11.8936 11.8936 13.1537 13.1537 13.1537 13.1537 k = 0.0000 0.5000 0.1589 ( 3830 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0822 -12.0822 -12.0822 -12.0822 -10.7253 -10.7253 -10.7253 -10.7253 -10.5692 -10.5692 -10.5692 -10.5692 3.3183 3.3183 3.3183 3.3183 6.9051 6.9051 6.9051 6.9051 8.6149 8.6149 8.6149 8.6149 8.6521 8.6521 8.6521 8.6521 9.8976 9.8976 9.8976 9.8976 10.0015 10.0015 10.0015 10.0015 10.3922 10.3922 10.3922 10.3922 11.0518 11.0518 11.0518 11.0518 11.8719 11.8719 11.8719 11.8719 13.0806 13.0806 13.0806 13.0806 k = 0.0000 0.5000 0.1711 ( 3830 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0822 -12.0822 -12.0822 -12.0822 -10.7255 -10.7255 -10.7255 -10.7255 -10.5689 -10.5689 -10.5689 -10.5689 3.3247 3.3247 3.3247 3.3247 6.8769 6.8769 6.8769 6.8769 8.6158 8.6158 8.6158 8.6158 8.6526 8.6526 8.6526 8.6526 9.9017 9.9017 9.9017 9.9017 10.0147 10.0147 10.0147 10.0147 10.3894 10.3894 10.3894 10.3894 11.1036 11.1036 11.1036 11.1036 11.8510 11.8510 11.8510 11.8510 13.0073 13.0073 13.0073 13.0073 k = 0.0000 0.5000 0.1834 ( 3830 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0823 -12.0823 -12.0823 -12.0823 -10.7257 -10.7257 -10.7257 -10.7257 -10.5687 -10.5687 -10.5687 -10.5687 3.3309 3.3309 3.3309 3.3309 6.8502 6.8502 6.8502 6.8502 8.6162 8.6162 8.6162 8.6162 8.6531 8.6531 8.6531 8.6531 9.9053 9.9053 9.9053 9.9053 10.0278 10.0278 10.0278 10.0278 10.3861 10.3861 10.3861 10.3861 11.1573 11.1573 11.1573 11.1573 11.8314 11.8314 11.8314 11.8314 12.9342 12.9342 12.9342 12.9342 k = 0.0000 0.5000 0.1956 ( 3830 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0823 -12.0823 -12.0823 -12.0823 -10.7259 -10.7259 -10.7259 -10.7259 -10.5685 -10.5685 -10.5685 -10.5685 3.3368 3.3368 3.3368 3.3368 6.8253 6.8253 6.8253 6.8253 8.6164 8.6164 8.6164 8.6164 8.6534 8.6534 8.6534 8.6534 9.9087 9.9087 9.9087 9.9087 10.0406 10.0406 10.0406 10.0406 10.3825 10.3825 10.3825 10.3825 11.2123 11.2123 11.2123 11.2123 11.8132 11.8132 11.8132 11.8132 12.8622 12.8622 12.8622 12.8622 k = 0.0000 0.5000 0.2078 ( 3824 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0823 -12.0823 -12.0823 -12.0823 -10.7261 -10.7261 -10.7261 -10.7261 -10.5682 -10.5682 -10.5682 -10.5682 3.3423 3.3423 3.3423 3.3423 6.8025 6.8025 6.8025 6.8025 8.6162 8.6162 8.6162 8.6162 8.6538 8.6538 8.6538 8.6538 9.9117 9.9117 9.9117 9.9117 10.0528 10.0528 10.0528 10.0528 10.3786 10.3786 10.3786 10.3786 11.2675 11.2675 11.2675 11.2675 11.7968 11.7968 11.7968 11.7968 12.7922 12.7922 12.7922 12.7922 k = 0.0000 0.5000 0.2200 ( 3834 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0824 -12.0824 -12.0824 -12.0824 -10.7262 -10.7262 -10.7262 -10.7262 -10.5681 -10.5681 -10.5681 -10.5681 3.3474 3.3474 3.3474 3.3474 6.7821 6.7821 6.7821 6.7821 8.6159 8.6159 8.6159 8.6159 8.6540 8.6540 8.6540 8.6540 9.9143 9.9143 9.9143 9.9143 10.0640 10.0640 10.0640 10.0640 10.3746 10.3746 10.3746 10.3746 11.3217 11.3217 11.3217 11.3217 11.7822 11.7822 11.7822 11.7822 12.7252 12.7252 12.7252 12.7252 k = 0.0000 0.5000 0.2323 ( 3836 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0824 -12.0824 -12.0824 -12.0824 -10.7264 -10.7264 -10.7264 -10.7264 -10.5679 -10.5679 -10.5679 -10.5679 3.3518 3.3518 3.3518 3.3518 6.7644 6.7644 6.7644 6.7644 8.6155 8.6155 8.6155 8.6155 8.6542 8.6542 8.6542 8.6542 9.9166 9.9166 9.9166 9.9166 10.0741 10.0741 10.0741 10.0741 10.3708 10.3708 10.3708 10.3708 11.3736 11.3736 11.3736 11.3736 11.7698 11.7698 11.7698 11.7698 12.6627 12.6627 12.6627 12.6627 k = 0.0000 0.5000 0.2445 ( 3836 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0824 -12.0824 -12.0824 -12.0824 -10.7265 -10.7265 -10.7265 -10.7265 -10.5678 -10.5678 -10.5678 -10.5678 3.3555 3.3555 3.3555 3.3555 6.7497 6.7497 6.7497 6.7497 8.6152 8.6152 8.6152 8.6152 8.6543 8.6543 8.6543 8.6543 9.9185 9.9185 9.9185 9.9185 10.0829 10.0829 10.0829 10.0829 10.3672 10.3672 10.3672 10.3672 11.4212 11.4212 11.4212 11.4212 11.7595 11.7595 11.7595 11.7595 12.6063 12.6063 12.6063 12.6063 k = 0.0000 0.5000 0.2567 ( 3824 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0824 -12.0824 -12.0824 -12.0824 -10.7266 -10.7266 -10.7266 -10.7266 -10.5677 -10.5677 -10.5677 -10.5677 3.3585 3.3585 3.3585 3.3585 6.7380 6.7380 6.7380 6.7380 8.6148 8.6148 8.6148 8.6148 8.6545 8.6545 8.6545 8.6545 9.9200 9.9200 9.9200 9.9200 10.0900 10.0900 10.0900 10.0900 10.3643 10.3643 10.3643 10.3643 11.4622 11.4622 11.4622 11.4622 11.7515 11.7515 11.7515 11.7515 12.5584 12.5584 12.5584 12.5584 k = 0.0000 0.5000 0.2689 ( 3826 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0824 -12.0824 -12.0824 -12.0824 -10.7266 -10.7266 -10.7266 -10.7266 -10.5676 -10.5676 -10.5676 -10.5676 3.3607 3.3607 3.3607 3.3607 6.7295 6.7295 6.7295 6.7295 8.6145 8.6145 8.6145 8.6145 8.6545 8.6545 8.6545 8.6545 9.9211 9.9211 9.9211 9.9211 10.0953 10.0953 10.0953 10.0953 10.3620 10.3620 10.3620 10.3620 11.4942 11.4942 11.4942 11.4942 11.7460 11.7460 11.7460 11.7460 12.5213 12.5213 12.5213 12.5213 k = 0.0000 0.5000 0.2812 ( 3832 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0825 -12.0825 -12.0825 -12.0825 -10.7267 -10.7267 -10.7267 -10.7267 -10.5675 -10.5675 -10.5675 -10.5675 3.3620 3.3620 3.3620 3.3620 6.7244 6.7244 6.7244 6.7244 8.6143 8.6143 8.6143 8.6143 8.6546 8.6546 8.6546 8.6546 9.9217 9.9217 9.9217 9.9217 10.0985 10.0985 10.0985 10.0985 10.3605 10.3605 10.3605 10.3605 11.5146 11.5146 11.5146 11.5146 11.7427 11.7427 11.7427 11.7427 12.4977 12.4977 12.4977 12.4977 k = 0.0000 0.5000 0.2934 ( 3836 PWs) bands (ev): -31.0295 -31.0295 -31.0295 -31.0295 -12.0825 -12.0825 -12.0825 -12.0825 -10.7267 -10.7267 -10.7267 -10.7267 -10.5675 -10.5675 -10.5675 -10.5675 3.3625 3.3625 3.3625 3.3625 6.7227 6.7227 6.7227 6.7227 8.6142 8.6142 8.6142 8.6142 8.6546 8.6546 8.6546 8.6546 9.9219 9.9219 9.9219 9.9219 10.0996 10.0996 10.0996 10.0996 10.3600 10.3600 10.3600 10.3600 11.5217 11.5217 11.5217 11.5217 11.7416 11.7416 11.7416 11.7416 12.4896 12.4896 12.4896 12.4896 k = 0.5000 0.5000-0.0000 ( 3864 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7443 -10.7443 -10.7443 -10.7443 -10.6154 -10.6154 -10.6154 -10.6154 3.6652 3.6652 3.6652 3.6652 6.6664 6.6664 6.6664 6.6664 9.1018 9.1018 9.1018 9.1018 9.2975 9.2975 9.2975 9.2975 9.4845 9.4845 9.4845 9.4845 9.8256 9.8256 9.8256 9.8256 10.5675 10.5675 10.5675 10.5675 10.9068 10.9068 10.9068 10.9068 11.1111 11.1111 11.1111 11.1111 12.3036 12.3036 12.3036 12.3036 k = 0.5000 0.5000 0.0122 ( 3860 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7443 -10.7443 -10.7443 -10.7443 -10.6154 -10.6154 -10.6154 -10.6154 3.6655 3.6655 3.6655 3.6655 6.6662 6.6662 6.6662 6.6662 9.1022 9.1022 9.1022 9.1022 9.2881 9.2881 9.2881 9.2881 9.4927 9.4927 9.4927 9.4927 9.8256 9.8256 9.8256 9.8256 10.5677 10.5677 10.5677 10.5677 10.9068 10.9068 10.9068 10.9068 11.1115 11.1115 11.1115 11.1115 12.3034 12.3034 12.3034 12.3034 k = 0.5000 0.5000 0.0244 ( 3860 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7443 -10.7443 -10.7443 -10.7443 -10.6155 -10.6155 -10.6155 -10.6155 3.6664 3.6664 3.6664 3.6664 6.6654 6.6654 6.6654 6.6654 9.1033 9.1033 9.1033 9.1033 9.2634 9.2634 9.2634 9.2634 9.5133 9.5133 9.5133 9.5133 9.8258 9.8258 9.8258 9.8258 10.5682 10.5682 10.5682 10.5682 10.9068 10.9068 10.9068 10.9068 11.1125 11.1125 11.1125 11.1125 12.3030 12.3030 12.3030 12.3030 k = 0.5000 0.5000 0.0367 ( 3876 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7443 -10.7443 -10.7443 -10.7443 -10.6155 -10.6155 -10.6155 -10.6155 3.6678 3.6678 3.6678 3.6678 6.6643 6.6643 6.6643 6.6643 9.1051 9.1051 9.1051 9.1051 9.2298 9.2298 9.2298 9.2298 9.5402 9.5402 9.5402 9.5402 9.8260 9.8260 9.8260 9.8260 10.5690 10.5690 10.5690 10.5690 10.9066 10.9066 10.9066 10.9066 11.1142 11.1142 11.1142 11.1142 12.3022 12.3022 12.3022 12.3022 k = 0.5000 0.5000 0.0489 ( 3876 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7442 -10.7442 -10.7442 -10.7442 -10.6156 -10.6156 -10.6156 -10.6156 3.6698 3.6698 3.6698 3.6698 6.6627 6.6627 6.6627 6.6627 9.1074 9.1074 9.1074 9.1074 9.1916 9.1916 9.1916 9.1916 9.5694 9.5694 9.5694 9.5694 9.8263 9.8263 9.8263 9.8263 10.5702 10.5702 10.5702 10.5702 10.9067 10.9067 10.9067 10.9067 11.1166 11.1166 11.1166 11.1166 12.3012 12.3012 12.3012 12.3012 k = 0.5000 0.5000 0.0611 ( 3888 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7441 -10.7441 -10.7441 -10.7441 -10.6157 -10.6157 -10.6157 -10.6157 3.6723 3.6723 3.6723 3.6723 6.6607 6.6607 6.6607 6.6607 9.1095 9.1095 9.1095 9.1095 9.1516 9.1516 9.1516 9.1516 9.5989 9.5989 9.5989 9.5989 9.8268 9.8268 9.8268 9.8268 10.5718 10.5718 10.5718 10.5718 10.9065 10.9065 10.9065 10.9065 11.1195 11.1195 11.1195 11.1195 12.3000 12.3000 12.3000 12.3000 k = 0.5000 0.5000 0.0733 ( 3888 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7441 -10.7441 -10.7441 -10.7441 -10.6158 -10.6158 -10.6158 -10.6158 3.6752 3.6752 3.6752 3.6752 6.6583 6.6583 6.6583 6.6583 9.1004 9.1004 9.1004 9.1004 9.1220 9.1220 9.1220 9.1220 9.6277 9.6277 9.6277 9.6277 9.8274 9.8274 9.8274 9.8274 10.5736 10.5736 10.5736 10.5736 10.9065 10.9065 10.9065 10.9065 11.1231 11.1231 11.1231 11.1231 12.2984 12.2984 12.2984 12.2984 k = 0.5000 0.5000 0.0856 ( 3888 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1055 -12.1055 -12.1055 -12.1055 -10.7440 -10.7440 -10.7440 -10.7440 -10.6160 -10.6160 -10.6160 -10.6160 3.6786 3.6786 3.6786 3.6786 6.6557 6.6557 6.6557 6.6557 9.0616 9.0616 9.0616 9.0616 9.1219 9.1219 9.1219 9.1219 9.6553 9.6553 9.6553 9.6553 9.8281 9.8281 9.8281 9.8281 10.5758 10.5758 10.5758 10.5758 10.9065 10.9065 10.9065 10.9065 11.1271 11.1271 11.1271 11.1271 12.2967 12.2967 12.2967 12.2967 k = 0.5000 0.5000 0.0978 ( 3896 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1055 -12.1055 -12.1055 -12.1055 -10.7439 -10.7439 -10.7439 -10.7439 -10.6161 -10.6161 -10.6161 -10.6161 3.6824 3.6824 3.6824 3.6824 6.6527 6.6527 6.6527 6.6527 9.0189 9.0189 9.0189 9.0189 9.1260 9.1260 9.1260 9.1260 9.6814 9.6814 9.6814 9.6814 9.8289 9.8289 9.8289 9.8289 10.5783 10.5783 10.5783 10.5783 10.9065 10.9065 10.9065 10.9065 11.1315 11.1315 11.1315 11.1315 12.2947 12.2947 12.2947 12.2947 k = 0.5000 0.5000 0.1100 ( 3884 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1054 -12.1054 -12.1054 -12.1054 -10.7438 -10.7438 -10.7438 -10.7438 -10.6162 -10.6162 -10.6162 -10.6162 3.6865 3.6865 3.6865 3.6865 6.6495 6.6495 6.6495 6.6495 8.9761 8.9761 8.9761 8.9761 9.1309 9.1309 9.1309 9.1309 9.7059 9.7059 9.7059 9.7059 9.8300 9.8300 9.8300 9.8300 10.5810 10.5810 10.5810 10.5810 10.9065 10.9065 10.9065 10.9065 11.1363 11.1363 11.1363 11.1363 12.2925 12.2925 12.2925 12.2925 k = 0.5000 0.5000 0.1222 ( 3876 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1054 -12.1054 -12.1054 -12.1054 -10.7436 -10.7436 -10.7436 -10.7436 -10.6164 -10.6164 -10.6164 -10.6164 3.6908 3.6908 3.6908 3.6908 6.6462 6.6462 6.6462 6.6462 8.9341 8.9341 8.9341 8.9341 9.1362 9.1362 9.1362 9.1362 9.7285 9.7285 9.7285 9.7285 9.8311 9.8311 9.8311 9.8311 10.5840 10.5840 10.5840 10.5840 10.9065 10.9065 10.9065 10.9065 11.1414 11.1414 11.1414 11.1414 12.2902 12.2902 12.2902 12.2902 k = 0.5000 0.5000 0.1345 ( 3884 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1054 -12.1054 -12.1054 -12.1054 -10.7435 -10.7435 -10.7435 -10.7435 -10.6166 -10.6166 -10.6166 -10.6166 3.6954 3.6954 3.6954 3.6954 6.6428 6.6428 6.6428 6.6428 8.8932 8.8932 8.8932 8.8932 9.1415 9.1415 9.1415 9.1415 9.7493 9.7493 9.7493 9.7493 9.8324 9.8324 9.8324 9.8324 10.5871 10.5871 10.5871 10.5871 10.9064 10.9064 10.9064 10.9064 11.1467 11.1467 11.1467 11.1467 12.2876 12.2876 12.2876 12.2876 k = 0.5000 0.5000 0.1467 ( 3892 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1054 -12.1054 -12.1054 -12.1054 -10.7434 -10.7434 -10.7434 -10.7434 -10.6168 -10.6168 -10.6168 -10.6168 3.7000 3.7000 3.7000 3.7000 6.6393 6.6393 6.6393 6.6393 8.8538 8.8538 8.8538 8.8538 9.1470 9.1470 9.1470 9.1470 9.7682 9.7682 9.7682 9.7682 9.8339 9.8339 9.8339 9.8339 10.5904 10.5904 10.5904 10.5904 10.9063 10.9063 10.9063 10.9063 11.1520 11.1520 11.1520 11.1520 12.2850 12.2850 12.2850 12.2850 k = 0.5000 0.5000 0.1589 ( 3900 PWs) bands (ev): -31.0236 -31.0236 -31.0236 -31.0236 -12.1054 -12.1054 -12.1054 -12.1054 -10.7433 -10.7433 -10.7433 -10.7433 -10.6169 -10.6169 -10.6169 -10.6169 3.7046 3.7046 3.7046 3.7046 6.6358 6.6358 6.6358 6.6358 8.8163 8.8163 8.8163 8.8163 9.1523 9.1523 9.1523 9.1523 9.7851 9.7851 9.7851 9.7851 9.8356 9.8356 9.8356 9.8356 10.5938 10.5938 10.5938 10.5938 10.9063 10.9063 10.9063 10.9063 11.1574 11.1574 11.1574 11.1574 12.2824 12.2824 12.2824 12.2824 k = 0.5000 0.5000 0.1711 ( 3892 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1054 -12.1054 -12.1054 -12.1054 -10.7432 -10.7432 -10.7432 -10.7432 -10.6171 -10.6171 -10.6171 -10.6171 3.7091 3.7091 3.7091 3.7091 6.6325 6.6325 6.6325 6.6325 8.7809 8.7809 8.7809 8.7809 9.1575 9.1575 9.1575 9.1575 9.8000 9.8000 9.8000 9.8000 9.8377 9.8377 9.8377 9.8377 10.5972 10.5972 10.5972 10.5972 10.9063 10.9063 10.9063 10.9063 11.1626 11.1626 11.1626 11.1626 12.2798 12.2798 12.2798 12.2798 k = 0.5000 0.5000 0.1834 ( 3852 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1053 -12.1053 -12.1053 -12.1053 -10.7430 -10.7430 -10.7430 -10.7430 -10.6173 -10.6173 -10.6173 -10.6173 3.7136 3.7136 3.7136 3.7136 6.6293 6.6293 6.6293 6.6293 8.7481 8.7481 8.7481 8.7481 9.1624 9.1624 9.1624 9.1624 9.8127 9.8127 9.8127 9.8127 9.8405 9.8405 9.8405 9.8405 10.6008 10.6008 10.6008 10.6008 10.9065 10.9065 10.9065 10.9065 11.1677 11.1677 11.1677 11.1677 12.2773 12.2773 12.2773 12.2773 k = 0.5000 0.5000 0.1956 ( 3844 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1053 -12.1053 -12.1053 -12.1053 -10.7429 -10.7429 -10.7429 -10.7429 -10.6174 -10.6174 -10.6174 -10.6174 3.7178 3.7178 3.7178 3.7178 6.6262 6.6262 6.6262 6.6262 8.7179 8.7179 8.7179 8.7179 9.1670 9.1670 9.1670 9.1670 9.8225 9.8225 9.8225 9.8225 9.8444 9.8444 9.8444 9.8444 10.6041 10.6041 10.6041 10.6041 10.9065 10.9065 10.9065 10.9065 11.1726 11.1726 11.1726 11.1726 12.2748 12.2748 12.2748 12.2748 k = 0.5000 0.5000 0.2078 ( 3848 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1053 -12.1053 -12.1053 -12.1053 -10.7428 -10.7428 -10.7428 -10.7428 -10.6176 -10.6176 -10.6176 -10.6176 3.7217 3.7217 3.7217 3.7217 6.6234 6.6234 6.6234 6.6234 8.6907 8.6907 8.6907 8.6907 9.1712 9.1712 9.1712 9.1712 9.8291 9.8291 9.8291 9.8291 9.8498 9.8498 9.8498 9.8498 10.6072 10.6072 10.6072 10.6072 10.9065 10.9065 10.9065 10.9065 11.1771 11.1771 11.1771 11.1771 12.2724 12.2724 12.2724 12.2724 k = 0.5000 0.5000 0.2200 ( 3848 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1053 -12.1053 -12.1053 -12.1053 -10.7427 -10.7427 -10.7427 -10.7427 -10.6177 -10.6177 -10.6177 -10.6177 3.7253 3.7253 3.7253 3.7253 6.6208 6.6208 6.6208 6.6208 8.6667 8.6667 8.6667 8.6667 9.1749 9.1749 9.1749 9.1749 9.8331 9.8331 9.8331 9.8331 9.8561 9.8561 9.8561 9.8561 10.6101 10.6101 10.6101 10.6101 10.9064 10.9064 10.9064 10.9064 11.1812 11.1812 11.1812 11.1812 12.2702 12.2702 12.2702 12.2702 k = 0.5000 0.5000 0.2323 ( 3852 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1053 -12.1053 -12.1053 -12.1053 -10.7426 -10.7426 -10.7426 -10.7426 -10.6178 -10.6178 -10.6178 -10.6178 3.7284 3.7284 3.7284 3.7284 6.6186 6.6186 6.6186 6.6186 8.6460 8.6460 8.6460 8.6460 9.1782 9.1782 9.1782 9.1782 9.8356 9.8356 9.8356 9.8356 9.8624 9.8624 9.8624 9.8624 10.6127 10.6127 10.6127 10.6127 10.9064 10.9064 10.9064 10.9064 11.1847 11.1847 11.1847 11.1847 12.2683 12.2683 12.2683 12.2683 k = 0.5000 0.5000 0.2445 ( 3852 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7426 -10.7426 -10.7426 -10.7426 -10.6179 -10.6179 -10.6179 -10.6179 3.7311 3.7311 3.7311 3.7311 6.6168 6.6168 6.6168 6.6168 8.6289 8.6289 8.6289 8.6289 9.1808 9.1808 9.1808 9.1808 9.8373 9.8373 9.8373 9.8373 9.8678 9.8678 9.8678 9.8678 10.6149 10.6149 10.6149 10.6149 10.9064 10.9064 10.9064 10.9064 11.1878 11.1878 11.1878 11.1878 12.2666 12.2666 12.2666 12.2666 k = 0.5000 0.5000 0.2567 ( 3852 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7425 -10.7425 -10.7425 -10.7425 -10.6180 -10.6180 -10.6180 -10.6180 3.7332 3.7332 3.7332 3.7332 6.6153 6.6153 6.6153 6.6153 8.6154 8.6154 8.6154 8.6154 9.1830 9.1830 9.1830 9.1830 9.8385 9.8385 9.8385 9.8385 9.8722 9.8722 9.8722 9.8722 10.6167 10.6167 10.6167 10.6167 10.9063 10.9063 10.9063 10.9063 11.1902 11.1902 11.1902 11.1902 12.2653 12.2653 12.2653 12.2653 k = 0.5000 0.5000 0.2689 ( 3852 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7425 -10.7425 -10.7425 -10.7425 -10.6180 -10.6180 -10.6180 -10.6180 3.7347 3.7347 3.7347 3.7347 6.6142 6.6142 6.6142 6.6142 8.6057 8.6057 8.6057 8.6057 9.1845 9.1845 9.1845 9.1845 9.8393 9.8393 9.8393 9.8393 9.8754 9.8754 9.8754 9.8754 10.6180 10.6180 10.6180 10.6180 10.9063 10.9063 10.9063 10.9063 11.1919 11.1919 11.1919 11.1919 12.2643 12.2643 12.2643 12.2643 k = 0.5000 0.5000 0.2812 ( 3860 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7425 -10.7425 -10.7425 -10.7425 -10.6181 -10.6181 -10.6181 -10.6181 3.7356 3.7356 3.7356 3.7356 6.6135 6.6135 6.6135 6.6135 8.5999 8.5999 8.5999 8.5999 9.1854 9.1854 9.1854 9.1854 9.8397 9.8397 9.8397 9.8397 9.8773 9.8773 9.8773 9.8773 10.6188 10.6188 10.6188 10.6188 10.9063 10.9063 10.9063 10.9063 11.1930 11.1930 11.1930 11.1930 12.2637 12.2637 12.2637 12.2637 k = 0.5000 0.5000 0.2934 ( 3848 PWs) bands (ev): -31.0235 -31.0235 -31.0235 -31.0235 -12.1052 -12.1052 -12.1052 -12.1052 -10.7424 -10.7424 -10.7424 -10.7424 -10.6181 -10.6181 -10.6181 -10.6181 3.7360 3.7360 3.7360 3.7360 6.6133 6.6133 6.6133 6.6133 8.5979 8.5979 8.5979 8.5979 9.1857 9.1857 9.1857 9.1857 9.8400 9.8400 9.8400 9.8400 9.8780 9.8780 9.8780 9.8780 10.6191 10.6191 10.6191 10.6191 10.9063 10.9063 10.9063 10.9063 11.1933 11.1933 11.1933 11.1933 12.2635 12.2635 12.2635 12.2635 Writing output data file YFeSi.save init_run : 0.49s CPU 0.62s WALL ( 1 calls) electrons : 167.82s CPU 170.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 167.81s CPU 170.46s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 353 calls) cegterg : 147.45s CPU 149.44s WALL ( 414 calls) Called by sum_band: Called by *egterg: h_psi : 82.34s CPU 84.10s WALL ( 6480 calls) s_psi : 9.10s CPU 9.08s WALL ( 6480 calls) g_psi : 0.27s CPU 0.25s WALL ( 5713 calls) cdiaghg : 55.35s CPU 55.89s WALL ( 6066 calls) cegterg:over : 6.47s CPU 6.53s WALL ( 5713 calls) cegterg:upda : 5.40s CPU 5.32s WALL ( 5713 calls) cegterg:last : 2.84s CPU 2.91s WALL ( 1129 calls) cdiaghg:chol : 3.36s CPU 3.22s WALL ( 6066 calls) cdiaghg:inve : 2.13s CPU 2.26s WALL ( 6066 calls) cdiaghg:para : 3.63s CPU 3.61s WALL ( 12132 calls) Called by h_psi: h_psi:vloc : 63.69s CPU 64.94s WALL ( 6480 calls) h_psi:vnl : 18.39s CPU 18.90s WALL ( 6480 calls) add_vuspsi : 10.37s CPU 10.61s WALL ( 6480 calls) General routines calbec : 7.99s CPU 8.27s WALL ( 6480 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 60.22s CPU 61.29s WALL ( 915756 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 706 calls) Parallel routines fft_scatter : 24.52s CPU 24.85s WALL ( 915779 calls) PWSCF : 3m 6.27s CPU 3m22.32s WALL This run was terminated on: 18:27:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=